#------------------------------------------------------------------------------
#$Date: 2017-07-18 04:18:12 +0300 (Tue, 18 Jul 2017) $
#$Revision: 198766 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/04/7120458.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7120458
loop_
_publ_author_name
'Chen, Yao'
'Wojtas, Lukasz'
'Ma, Shengqian'
'Zaworotko, Michael'
'Zhang, Zhenjie'
_publ_section_title
;
 Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination
 Network into a New Supramolecular Isomer of HKUST-1
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC04958G
_journal_year                    2017
_chemical_formula_sum
'C57.96 H27.95 Fe0.43 N3.58 O37.23 S1.73 Zn5.9'
_chemical_formula_weight         1835.59
_chemical_name_systematic        porphMOM-1
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-07-19 deposited with the CCDC.
2017-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.304(2)
_cell_length_b                   29.2049(19)
_cell_length_c                   18.7738(11)
_cell_measurement_temperature    100(2)
_cell_volume                     18808(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_av_sigmaI/netI    0.0560
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            178834
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.658
_exptl_absorpt_correction_T_max  0.9836
_exptl_absorpt_correction_T_min  0.9217
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7317
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.919
_refine_diff_density_min         -1.182
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1406
_refine_ls_number_reflns         16772
_refine_ls_number_restraints     447
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1121
_refine_ls_R_factor_gt           0.0824
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1540P)²+101.5761P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2413
_refine_ls_wR_factor_ref         0.2694
_reflns_number_gt                12049
_reflns_number_total             16772
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc04958g2.cif
_cod_data_source_block           porphMOM-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        18809(2)
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum
'C57.96 H27.95 Fe0.43 N3.58 O37.23 S1.73 Zn5.90'
_cod_database_code               7120458
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.77454(2) 0.46443(3) 0.16745(4) 0.0383(2) Uani 1 1 d . . .
Zn2 Zn 0.74951(2) 0.54892(3) 0.24478(4) 0.0393(2) Uani 1 1 d . . .
Zn3 Zn 0.65434(4) 0.7500 -0.12893(6) 0.0537(4) Uani 1 2 d S . .
Zn4 Zn 0.66158(4) 0.7500 0.05250(6) 0.0536(4) Uani 1 2 d S . .
Zn5 Zn 0.54311(3) 0.53364(3) 0.46356(5) 0.0535(3) Uani 1 1 d . . .
Zn6 Zn 0.52321(5) 0.2500 -0.27167(8) 0.0482(4) Uani 0.80 2 d SPU . .
Zn7 Zn 0.56406(4) 0.2500 0.29512(7) 0.0500(3) Uani 1 2 d S . .
Zn8 Zn 0.88536(5) 0.7500 0.30410(9) 0.0515(4) Uani 0.80 2 d SP . .
Zn9 Zn 0.63336(5) 0.2500 0.17820(8) 0.0662(4) Uani 1 2 d SD . .
Fe10 Fe 0.5000 0.5000 0.0000 0.0957(9) Uani 0.87 2 d SP . .
O12 O 0.7323(2) 0.4925(2) -0.1743(3) 0.0648(16) Uani 1 1 d . . .
O13 O 0.73705(18) 0.5652(2) 0.1420(3) 0.0578(14) Uani 1 1 d . . .
O14 O 0.70693(17) 0.55137(19) -0.2317(3) 0.0568(14) Uani 1 1 d . . .
O15 O 0.82116(16) 0.50697(18) 0.1592(3) 0.0535(13) Uani 1 1 d . . .
O16 O 0.99438(16) 0.55616(19) 0.0725(3) 0.0579(14) Uani 1 1 d . . .
O17 O 0.80496(16) 0.5670(2) 0.2276(3) 0.0590(14) Uani 1 1 d . . .
O18 O 0.63662(18) 0.3096(2) 0.2219(4) 0.0724(17) Uani 1 1 d . . .
O19 O 0.57907(16) 0.3152(2) 0.2799(3) 0.0649(15) Uani 1 1 d . . .
O20 O 0.69978(18) 0.5115(2) 0.2435(4) 0.0706(17) Uani 1 1 d . . .
O22 O 0.58169(18) 0.5194(2) 0.3893(4) 0.0700(16) Uani 1 1 d . . .
O24 O 0.6749(2) 0.6901(2) 0.0178(3) 0.087(2) Uani 1 1 d . . .
O25 O 0.8966(2) 0.6919(2) 0.2625(4) 0.083(2) Uani 1 1 d . . .
O26 O 0.7953(2) 0.4111(2) 0.1146(4) 0.086(2) Uani 1 1 d . . .
O27 O 0.3998(3) 0.2500 0.0919(5) 0.082(3) Uani 1 2 d S . .
O28 O 0.95122(19) 0.6944(2) 0.2001(3) 0.0688(17) Uani 1 1 d . . .
O29 O 0.74830(16) 0.49857(19) 0.0862(3) 0.0536(13) Uani 1 1 d . . .
C30 C 0.7165(2) 0.5309(3) -0.1773(4) 0.0506(18) Uani 1 1 d . . .
O32 O 0.3955(3) 0.2500 -0.0257(5) 0.088(3) Uani 1 2 d S . .
O33 O 0.6720(3) 0.6903(2) -0.0994(3) 0.089(2) Uani 1 1 d U . .
O34 O 0.72053(17) 0.4448(2) 0.2008(3) 0.0637(15) Uani 1 1 d . . .
C36 C 0.6781(3) 0.6717(3) -0.0423(4) 0.060(2) Uani 1 1 d U . .
O37 O 0.5125(4) 0.2500 -0.1724(5) 0.106(4) Uani 1 2 d S . .
C38 C 0.9613(2) 0.5376(3) 0.0788(4) 0.0467(17) Uani 1 1 d . . .
O39 O 0.5710(4) 0.2500 -0.1223(6) 0.096(3) Uani 1 2 d S . .
C40 C 0.6926(2) 0.6236(3) -0.0428(4) 0.0503(18) Uani 1 1 d . . .
C43 C 0.5359(5) 0.2500 -0.1202(7) 0.070(4) Uani 1 2 d S . .
C44 C 0.5153(4) 0.2500 -0.0473(6) 0.064(3) Uani 1 2 d S . .
O46 O 0.54328(18) 0.4591(2) 0.3997(4) 0.080(2) Uani 1 1 d . . .
C48 C 0.8765(2) 0.6077(3) 0.2045(4) 0.0485(18) Uani 1 1 d . . .
H48 H 0.8577 0.6234 0.2326 0.058 Uiso 1 1 calc R . .
C50 C 0.7369(2) 0.5392(3) 0.0887(4) 0.0502(18) Uani 1 1 d . . .
C51 C 0.7211(2) 0.5597(3) 0.0203(4) 0.0457(17) Uani 1 1 d . . .
C53 C 0.4574(4) 0.2500 0.0254(6) 0.059(3) Uani 1 2 d S . .
C54 C 0.5210(4) 0.2500 0.0794(6) 0.056(3) Uani 1 2 d S . .
C55 C 0.6509(2) 0.4019(3) 0.2414(5) 0.057(2) Uani 1 1 d . . .
H55 H 0.6688 0.3846 0.2138 0.068 Uiso 1 1 calc R . .
C56 C 0.7233(2) 0.5352(3) -0.0435(4) 0.0468(17) Uani 1 1 d . . .
H56 H 0.7334 0.5049 -0.0435 0.056 Uiso 1 1 calc R . .
C57 C 0.7110(2) 0.5550(3) -0.1068(4) 0.0484(18) Uani 1 1 d . . .
C58 C 0.8283(2) 0.5446(3) 0.1888(4) 0.0477(17) Uani 1 1 d . . .
C59 C 0.4145(4) 0.2500 0.0313(8) 0.065(3) Uani 1 2 d S . .
C60 C 0.4797(4) 0.2500 0.0865(7) 0.059(3) Uani 1 2 d S . .
H60 H 0.4677 0.2500 0.1322 0.070 Uiso 1 2 calc SR . .
C61 C 0.6583(2) 0.4481(3) 0.2558(5) 0.057(2) Uani 1 1 d . . .
C62 C 0.8676(2) 0.5658(2) 0.1771(4) 0.0445(16) Uani 1 1 d . . .
C63 C 0.8956(2) 0.5426(3) 0.1360(4) 0.0487(18) Uani 1 1 d . . .
H63 H 0.8897 0.5136 0.1160 0.058 Uiso 1 1 calc R . .
C64 C 0.9319(2) 0.5624(2) 0.1246(4) 0.0436(16) Uani 1 1 d . . .
C67 C 0.9402(2) 0.6046(3) 0.1526(4) 0.0470(17) Uani 1 1 d . . .
H67 H 0.9650 0.6180 0.1449 0.056 Uiso 1 1 calc R . .
C69 C 0.9124(2) 0.6279(3) 0.1922(4) 0.0468(17) Uani 1 1 d . . .
C70 C 0.5377(4) 0.2500 0.0122(7) 0.066(3) Uani 1 2 d S . .
H70 H 0.5653 0.2500 0.0077 0.079 Uiso 1 2 calc SR . .
C71 C 0.4751(5) 0.2500 -0.0404(7) 0.067(4) Uani 1 2 d S . .
H71 H 0.4594 0.2500 -0.0821 0.081 Uiso 1 2 calc SR . .
C72 C 0.7055(2) 0.6031(3) 0.0202(4) 0.0488(18) Uani 1 1 d . . .
H72 H 0.7035 0.6195 0.0637 0.059 Uiso 1 1 calc R . .
C73 C 0.6963(3) 0.4698(3) 0.2305(5) 0.059(2) Uani 1 1 d . . .
C74 C 0.6103(2) 0.3313(3) 0.2556(5) 0.062(2) Uani 1 1 d . . .
C75 C 0.6952(2) 0.5995(3) -0.1059(4) 0.0517(18) Uani 1 1 d . . .
H75 H 0.6864 0.6130 -0.1490 0.062 Uiso 1 1 calc R . .
C79 C 0.5722(2) 0.4786(4) 0.3727(6) 0.069(2) Uani 1 1 d . . .
C80 C 0.6175(2) 0.3816(3) 0.2674(5) 0.058(2) Uani 1 1 d . . .
C81 C 0.5912(2) 0.4068(3) 0.3077(5) 0.062(2) Uani 1 1 d . . .
H81 H 0.5681 0.3927 0.3251 0.074 Uiso 1 1 calc R . .
C87 C 0.9214(3) 0.6751(3) 0.2196(4) 0.0540(19) Uani 1 1 d . . .
C98 C 0.5987(2) 0.4526(3) 0.3226(5) 0.059(2) Uani 1 1 d . . .
C99 C 0.6318(2) 0.4732(3) 0.2964(5) 0.062(2) Uani 1 1 d . . .
H99 H 0.6366 0.5047 0.3059 0.074 Uiso 1 1 calc R . .
S1 S 0.40352(10) 0.39820(12) 0.44541(16) 0.0835(9) Uani 0.87 1 d PD . .
O2 O 0.7304(2) 0.6020(2) 0.2971(3) 0.0760(19) Uani 1 1 d D . .
O4 O 0.95100(17) 0.5013(2) 0.0510(3) 0.0648(16) Uani 1 1 d . . .
O5 O 0.43604(19) 0.4074(2) 0.4964(3) 0.0577(16) Uani 0.87 1 d P . .
O8 O 0.8425(5) 0.7500 0.3660(12) 0.159(8) Uani 0.84 2 d SP . .
O10 O 0.3958(3) 0.3497(3) 0.4423(5) 0.108(3) Uani 0.87 1 d P B .
O1 O 0.3693(3) 0.4271(4) 0.4579(5) 0.102(3) Uani 0.87 1 d P B .
C18 C 0.5465(4) 0.2500 0.1446(7) 0.060(3) Uani 1 2 d S . .
O6 O 0.5309(2) 0.2500 0.2055(4) 0.0578(19) Uani 1 2 d S . .
O7 O 0.5212(4) 0.2500 0.3643(6) 0.099(4) Uani 1 2 d S . .
O9 O 0.5825(3) 0.2500 0.1319(5) 0.081(3) Uani 1 2 d S . .
C5 C 0.4224(4) 0.4135(4) 0.3597(6) 0.081(3) Uani 0.87 1 d PD B .
C6 C 0.4486(5) 0.4397(6) 0.2287(8) 0.106(5) Uani 0.87 1 d P . .
N11 N 0.5376(6) 0.5480(8) -0.0303(9) 0.121(7) Uani 0.55 1 d PDU . .
C15 C 0.3966(5) 0.4212(6) 0.3046(8) 0.114(5) Uani 0.87 1 d P . .
H15 H 0.3695 0.4161 0.3109 0.137 Uiso 0.87 1 calc PR B .
C16 C 0.4599(5) 0.4162(9) 0.3484(8) 0.145(8) Uani 0.87 1 d P . .
H16 H 0.4777 0.4065 0.3841 0.174 Uiso 0.87 1 calc PR B .
C19 C 0.4105(5) 0.4361(7) 0.2416(10) 0.134(7) Uani 0.87 1 d P B .
H19 H 0.3926 0.4443 0.2052 0.161 Uiso 0.87 1 calc PR . .
C1 C 0.4628(5) 0.4566(6) 0.1574(7) 0.122(6) Uani 0.87 1 d PD . .
C13 C 0.4736(5) 0.4334(9) 0.2830(8) 0.158(10) Uani 0.87 1 d P B .
H13 H 0.5005 0.4405 0.2772 0.190 Uiso 0.87 1 calc PR . .
C2 C 0.5337(5) 0.5455(7) 0.1354(9) 0.106(8) Uani 0.55 1 d PD . .
N19 N 0.5097(5) 0.5132(7) 0.1035(9) 0.114(6) Uani 0.55 1 d PDU . .
C20 C 0.5455(7) 0.5666(9) -0.0956(10) 0.111(8) Uani 0.55 1 d PD . .
C22 C 0.5572(5) 0.5768(5) 0.0905(8) 0.118(9) Uani 0.55 1 d PD . .
C23 C 0.5800(7) 0.6150(9) -0.0218(11) 0.118(9) Uani 0.55 1 d PD . .
H23 H 0.5943 0.6395 -0.0012 0.142 Uiso 0.55 1 calc PR . .
C24 C 0.5790(9) 0.6117(9) 0.133(2) 0.133(10) Uiso 0.27 1 d PGD . 1
C31 C 0.6193(9) 0.6113(9) 0.142(2) 0.120(18) Uiso 0.27 1 d PG . 1
H31 H 0.6340 0.5856 0.1262 0.144 Uiso 0.27 1 calc PR . 1
C10 C 0.6380(6) 0.6486(9) 0.1723(17) 0.099(13) Uiso 0.27 1 d PGD . 1
H10 H 0.6655 0.6484 0.1780 0.119 Uiso 0.27 1 calc PR . 1
C14 C 0.6165(7) 0.6862(6) 0.1948(12) 0.115(14) Uiso 0.27 1 d PGDU . 1
C11 C 0.5762(7) 0.6866(8) 0.1866(17) 0.099(12) Uiso 0.27 1 d PGDU . 1
H11 H 0.5615 0.7123 0.2019 0.118 Uiso 0.27 1 calc PR . 1
C28 C 0.5575(7) 0.6493(11) 0.156(2) 0.139(14) Uiso 0.27 1 d PG . 1
H28 H 0.5300 0.6495 0.1502 0.167 Uiso 0.27 1 calc PR . 1
C32 C 0.5057(6) 0.5134(8) 0.2280(11) 0.127(8) Uani 0.55 1 d PDU . .
H32 H 0.4976 0.5050 0.2746 0.152 Uiso 0.55 1 calc PR . .
C33 C 0.5589(8) 0.5783(9) 0.0111(9) 0.139(11) Uani 0.55 1 d PD . .
C34 C 0.4925(6) 0.4937(8) 0.1636(10) 0.152(15) Uani 0.55 1 d PD . .
C3 C 0.5735(7) 0.6044(10) -0.0898(11) 0.141(12) Uani 0.55 1 d PD . .
H3 H 0.5853 0.6193 -0.1292 0.169 Uiso 0.55 1 calc PR . .
O1A O 0.6053(4) 0.2500 0.3766(7) 0.118(5) Uani 1 2 d S . .
O1B O 0.8494(3) 0.6787(4) -0.0889(5) 0.115(3) Uani 1 1 d D . .
N4 N 0.8369(4) 0.6063(5) -0.0593(6) 0.134(5) Uani 1 1 d D . .
C4 C 0.8402(6) 0.5626(5) -0.0271(8) 0.148(7) Uani 1 1 d D . .
C9 C 0.8944(5) 0.6296(7) -0.0190(9) 0.152(7) Uani 1 1 d D . .
H9A H 0.9173 0.6409 -0.0449 0.229 Uiso 1 1 calc R . .
H9B H 0.8964 0.5963 -0.0131 0.229 Uiso 1 1 calc R . .
H9C H 0.8932 0.6442 0.0279 0.229 Uiso 1 1 calc R . .
C12 C 0.7977(4) 0.6103(9) -0.0992(9) 0.200(12) Uani 1 1 d D . .
H12A H 0.7923 0.5816 -0.1242 0.301 Uiso 1 1 calc R . .
H12B H 0.7991 0.6354 -0.1337 0.301 Uiso 1 1 calc R . .
H12C H 0.7768 0.6165 -0.0650 0.301 Uiso 1 1 calc R . .
C7 C 0.8573(5) 0.6411(5) -0.0613(8) 0.173(10) Uani 1 1 d D . .
C8 C 0.5318(6) 0.5464(8) 0.2116(10) 0.124(7) Uani 0.55 1 d PDU . .
H8 H 0.5457 0.5657 0.2433 0.149 Uiso 0.55 1 calc PR . .
O1C O 0.6579(4) 0.7500 0.1523(6) 0.129(5) Uani 1 2 d SDU . .
O1D O 0.7234(7) 0.7500 0.0856(13) 0.200(8) Uani 1 2 d SDU . .
S6 S 0.6419(4) 0.7375(4) 0.2211(6) 0.113(4) Uiso 0.27 1 d PDU . 1
O11 O 0.5469(7) 0.4520(10) -0.0059(14) 0.172(9) Uani 0.55 1 d PU . 7
O1E O 0.5311(8) 0.5441(9) 0.0658(13) 0.096(7) Uani 0.32 1 d PU . 7
C1A C 0.5435(7) 0.4166(10) 0.0631(11) 0.101(14) Uani 0.32 1 d PD . .
C25 C 0.5756(6) 0.4533(8) -0.0530(10) 0.113(17) Uani 0.32 1 d PD . .
N1B N 0.5468(8) 0.4857(9) -0.0626(12) 0.100(9) Uani 0.32 1 d PDU . .
C17 C 0.5444(10) 0.3819(11) 0.1160(14) 0.109(15) Uani 0.32 1 d PD . .
H17 H 0.5627 0.3578 0.1212 0.131 Uiso 0.32 1 calc PR . .
N21 N 0.5135(7) 0.4482(9) 0.0659(12) 0.088(8) Uani 0.32 1 d PDU . .
C29 C 0.5128(10) 0.3914(10) 0.1578(16) 0.092(11) Uani 0.32 1 d PD . .
H29 H 0.5044 0.3757 0.1994 0.111 Uiso 0.32 1 calc PR . .
C37 C 0.4951(7) 0.4302(10) 0.1244(13) 0.084(11) Uani 0.32 1 d PD . .
C1B C 0.5744(5) 0.4204(7) 0.0078(9) 0.080(9) Uani 0.32 1 d PDU . .
O1F O 0.6839(5) 0.2500 0.1260(14) 0.14(2) Uani 0.32 2 d SPDU . 1
C1C C 0.6045(9) 0.4515(12) -0.1091(15) 0.115(13) Uani 0.32 1 d PDU . .
H1C H 0.6263 0.4317 -0.1129 0.138 Uiso 0.32 1 calc PR . .
C49 C 0.5579(10) 0.5049(12) -0.1270(15) 0.102(11) Uani 0.32 1 d PDU . .
C1D C 0.5930(10) 0.4845(12) -0.155(2) 0.127(15) Uani 0.32 1 d PDU . .
H1D H 0.6058 0.4929 -0.1976 0.152 Uiso 0.32 1 calc PR . .
S4 S 0.6867(4) 0.2647(5) 0.0517(10) 0.096(7) Uani 0.16 1 d PDU . 1
C1F C 0.6053(9) 0.3843(10) 0.0108(18) 0.105(9) Uani 0.16 1 d PGDU . 1
C1E C 0.5994(9) 0.3429(12) -0.0241(19) 0.073(12) Uani 0.16 1 d PGDU . 1
H1E H 0.5782 0.3396 -0.0563 0.087 Uiso 0.16 1 calc PR . 1
C46 C 0.6244(11) 0.3064(9) -0.0117(19) 0.091(12) Uani 0.16 1 d PGDU . 1
H46 H 0.6204 0.2780 -0.0355 0.109 Uiso 0.16 1 calc PR . 1
C26 C 0.6554(9) 0.3112(10) 0.0355(16) 0.087(12) Uani 0.16 1 d PGDU . 1
C1G C 0.6613(9) 0.3526(13) 0.0703(17) 0.079(10) Uani 0.16 1 d PGDU . 1
H1G H 0.6824 0.3560 0.1026 0.095 Uiso 0.16 1 calc PR . 1
C1H C 0.6362(12) 0.3892(10) 0.0580(19) 0.093(9) Uani 0.16 1 d PGDU . 1
H1H H 0.6402 0.4175 0.0818 0.111 Uiso 0.16 1 calc PR . 1
S2 S 0.7267(4) 0.3229(6) 0.0691(8) 0.083(5) Uani 0.16 1 d PD . 2
O1G O 0.7251(6) 0.2778(8) 0.0410(14) 0.135(11) Uani 0.32 1 d PDU . 2
O1H O 0.7588(9) 0.3491(11) 0.0385(16) 0.073(11) Uani 0.16 1 d PDU . 2
O1I O 0.7258(11) 0.3228(13) 0.1461(11) 0.075(11) Uani 0.16 1 d PDU . 2
C1L C 0.6123(8) 0.3948(15) 0.0179(17) 0.105(9) Uani 0.16 1 d PGDU . 2
C1I C 0.6157(9) 0.3476(14) 0.012(2) 0.096(10) Uani 0.16 1 d PGDU . 2
H1I H 0.5940 0.3298 -0.0033 0.115 Uiso 0.16 1 calc PR . 2
C86 C 0.6509(12) 0.3263(11) 0.0274(19) 0.087(11) Uani 0.16 1 d PGDU . 2
H86 H 0.6533 0.2940 0.0232 0.105 Uiso 0.16 1 calc PR . 2
C65 C 0.6827(8) 0.3523(16) 0.0493(11) 0.074(11) Uani 0.16 1 d PGDU . 2
C1J C 0.6792(9) 0.3995(15) 0.0555(17) 0.096(12) Uani 0.16 1 d PGDU . 2
H1J H 0.7009 0.4173 0.0705 0.115 Uiso 0.16 1 calc PR . 2
C1K C 0.6440(12) 0.4208(11) 0.0398(19) 0.093(9) Uani 0.16 1 d PGDU . 2
H1K H 0.6417 0.4531 0.0441 0.111 Uiso 0.16 1 calc PR . 2
O1J O 0.667(2) 0.2500 -0.247(4) 0.13(3) Uani 0.25 2 d SPU . .
C1M C 0.6881(17) 0.5762(15) 0.4105(18) 0.15(2) Uiso 0.35 1 d PD A 3
C1N C 0.7025(6) 0.5977(7) 0.3411(11) 0.075(7) Uiso 0.35 1 d PD A 3
N20 N 0.6697(7) 0.6186(8) 0.3284(14) 0.151(14) Uiso 0.35 1 d PD A 3
C1O C 0.6350(7) 0.6177(10) 0.3718(15) 0.089(9) Uiso 0.35 1 d PD A 3
H1OA H 0.6386 0.5957 0.4108 0.134 Uiso 0.35 1 calc PR A 3
H1OB H 0.6127 0.6084 0.3427 0.134 Uiso 0.35 1 calc PR A 3
H1OC H 0.6303 0.6482 0.3916 0.134 Uiso 0.35 1 calc PR A 3
C1P C 0.6689(14) 0.6459(14) 0.2620(19) 0.17(2) Uiso 0.35 1 d PD A 3
O1M O 0.8389(10) 0.7500 0.2166(13) 0.116(12) Uani 0.50 2 d SPD . .
C1Q C 0.8001(7) 0.6668(8) 0.0885(11) 0.097(7) Uani 0.50 1 d PD . .
N7 N 0.8054(8) 0.6957(8) 0.1523(13) 0.097(11) Uiso 0.25 1 d PD . .
C21 C 0.7750(13) 0.6872(14) 0.2044(19) 0.13(2) Uani 0.25 1 d PD . .
C1R C 0.8331(9) 0.7251(9) 0.1641(15) 0.101(15) Uiso 0.25 1 d PD . .
C1S C 0.8615(13) 0.7298(15) 0.102(2) 0.100(15) Uani 0.25 1 d PD . .
O1P O 0.6998(12) 0.2500 0.213(2) 0.078(10) Uiso 0.25 2 d SP . .
O1R O 0.8576(12) 0.2500 0.2701(17) 0.112(9) Uiso 0.50 2 d SP . .
O21 O 0.834(4) 0.296(4) 0.160(6) 0.08(3) Uiso 0.06 1 d P . .
O1T O 0.6721(15) 0.2261(13) 0.011(3) 0.17(2) Uani 0.16 1 d PDU . .
S1K S 0.6692(5) 0.7141(5) 0.2082(8) 0.139(5) Uiso 0.27 1 d PD . 2
C1V C 0.5838(8) 0.6060(10) 0.1322(19) 0.133(10) Uiso 0.27 1 d PGD . 2
C104 C 0.5727(7) 0.6516(12) 0.138(2) 0.139(14) Uiso 0.27 1 d PG . 2
H104 H 0.5470 0.6606 0.1259 0.167 Uiso 0.27 1 calc PR . 2
C68 C 0.5992(9) 0.6840(8) 0.163(2) 0.153(19) Uiso 0.27 1 d PGDU . 2
H68 H 0.5916 0.7151 0.1671 0.183 Uiso 0.27 1 calc PR . 2
C90 C 0.6368(8) 0.6707(8) 0.1812(15) 0.14(2) Uiso 0.27 1 d PGD . 2
C1U C 0.6479(7) 0.6251(9) 0.1750(17) 0.101(14) Uiso 0.27 1 d PGD . 2
H1U H 0.6736 0.6161 0.1875 0.121 Uiso 0.27 1 calc PR . 2
C1T C 0.6214(9) 0.5928(8) 0.1505(19) 0.096(13) Uiso 0.27 1 d PG . 2
H1T H 0.6290 0.5616 0.1462 0.115 Uiso 0.27 1 calc PR . 2
O67 O 0.6626(13) 0.7142(17) 0.2777(18) 0.177(18) Uiso 0.27 1 d PDU . 1
O1K O 0.6746(16) 0.7500 0.2664(15) 0.28(2) Uiso 0.55 2 d SPDU . .
O97 O 0.7080(10) 0.6955(18) 0.189(3) 0.24(3) Uiso 0.27 1 d PD . .
O98 O 0.6139(13) 0.7691(16) 0.252(2) 0.23(2) Uiso 0.27 1 d PDU . 1
O99 O 0.6665(7) 0.2645(8) 0.0989(13) 0.069(8) Uani 0.25 1 d PU . 3
O108 O 0.7086(14) 0.2500 0.362(3) 0.097(13) Uiso 0.25 2 d SP . .
O107 O 0.7189(16) 0.2500 0.294(3) 0.114(16) Uiso 0.25 2 d SP . .
N1L N 0.7663(7) 0.6973(9) 0.1010(17) 0.113(15) Uani 0.25 1 d PD . 3
O1O O 0.5195(10) 0.2120(13) 0.4668(18) 0.106(10) Uiso 0.25 1 d P . .
O1U O 0.5759(13) 0.7761(14) 0.396(2) 0.134(14) Uiso 0.25 1 d P . .
O102 O 0.4357(10) 0.3663(13) 0.4466(18) 0.104(10) Uiso 0.25 1 d P B 3
C103 C 0.7648(15) 0.7318(15) -0.023(2) 0.100(15) Uani 0.25 1 d PD . .
C105 C 0.7532(13) 0.7251(12) 0.054(2) 0.198(10) Uiso 0.25 1 d PDU . .
C1W C 0.7441(11) 0.694(2) 0.170(2) 0.13(2) Uiso 0.25 1 d PD . .
O1X O 0.755(2) 0.297(3) 0.265(4) 0.12(2) Uiso 0.13 1 d P . .
O106 O 0.522(2) 0.2500 0.425(4) 0.14(2) Uiso 0.25 2 d SP . .
O111 O 0.8135(17) 0.323(2) 0.229(3) 0.18(2) Uiso 0.25 1 d P . .
O112 O 0.7889(11) 0.2678(13) 0.327(2) 0.115(13) Uiso 0.25 1 d P . .
O113 O 0.8753(12) 0.2637(12) 0.275(2) 0.037(9) Uiso 0.13 1 d P . .
O1L O 0.536(4) 0.2500 0.526(7) 0.13(4) Uiso 0.13 2 d SP . .
O114 O 0.697(2) 0.336(3) -0.151(4) 0.12(2) Uani 0.13 1 d PU . .
O115 O 0.760(2) 0.295(3) -0.118(4) 0.11(2) Uiso 0.13 1 d P . .
O116 O 0.885(3) 0.2500 0.239(6) 0.10(3) Uiso 0.13 2 d SP . .
O117 O 0.607(3) 0.7500 0.442(5) 0.18(3) Uiso 0.25 2 d SP . .
O1Q O 0.471(5) 0.2500 0.328(8) 0.16(5) Uiso 0.13 2 d SP . .
O1S O 0.776(2) 0.344(2) 0.245(4) 0.096(19) Uiso 0.13 1 d P . 5
O1W O 0.479(3) 0.383(4) -0.232(4) 0.16(4) Uani 0.13 1 d P . .
Zn1N Zn 0.5638(2) 0.2500 -0.2323(4) 0.0648(18) Uani 0.20 2 d SPU . .
O1V O 0.5478(14) 0.7649(13) 0.350(2) 0.059(12) Uiso 0.13 1 d P . .
O1Y O 0.4746(4) 0.2500 -0.3183(10) 0.139(7) Uani 0.84 2 d SP . .
O3 O 0.754(3) 0.343(4) 0.214(6) 0.16(4) Uiso 0.13 1 d P . .
O1Z O 0.554(3) 0.388(4) -0.116(5) 0.07(3) Uiso 0.06 1 d P . .
O1N O 0.435(2) 0.2500 -0.287(4) 0.067(18) Uiso 0.13 2 d SP . .
O23 O 0.8306(17) 0.2500 0.270(3) 0.096(14) Uiso 0.25 2 d SP . .
O2A O 0.925(6) 0.2500 0.185(10) 0.20(7) Uiso 0.13 2 d SP . .
O2B O 0.8004(17) 0.2500 0.303(3) 0.038(12) Uiso 0.13 2 d SP . .
O2C O 0.6969(12) 0.5647(15) 0.404(2) 0.037(9) Uiso 0.13 1 d P C 6
O2D O 0.804(6) 0.277(6) 0.147(10) 0.15(6) Uiso 0.06 1 d P . .
O2E O 0.648(3) 0.455(3) -0.040(5) 0.06(2) Uiso 0.06 1 d P D 7
O2F O 0.6951(16) 0.2500 -0.020(3) 0.046(13) Uiso 0.13 2 d SP . 8
O2G O 0.947(3) 0.295(4) 0.199(6) 0.08(3) Uiso 0.06 1 d P . .
O2H O 0.800(2) 0.326(3) 0.109(4) 0.11(2) Uiso 0.13 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O26 Zn1 O15 99.2(3) . .
O26 Zn1 O29 99.7(3) . .
O15 Zn1 O29 89.5(2) . .
O26 Zn1 O34 105.0(3) . .
O15 Zn1 O34 155.7(2) . .
O29 Zn1 O34 88.1(2) . .
O26 Zn1 O14 100.0(3) . 2_665
O15 Zn1 O14 88.0(2) . 2_665
O29 Zn1 O14 160.2(2) . 2_665
O34 Zn1 O14 86.3(2) . 2_665
O26 Zn1 Zn2 175.2(3) . .
O15 Zn1 Zn2 76.02(16) . .
O29 Zn1 Zn2 80.35(15) . .
O34 Zn1 Zn2 79.75(19) . .
O14 Zn1 Zn2 80.00(16) 2_665 .
O2 Zn2 O17 101.1(3) . .
O2 Zn2 O20 98.7(3) . .
O17 Zn2 O20 160.2(3) . .
O2 Zn2 O13 102.8(3) . .
O17 Zn2 O13 89.1(2) . .
O20 Zn2 O13 86.4(3) . .
O2 Zn2 O12 101.5(3) . 2_665
O17 Zn2 O12 89.2(3) . 2_665
O20 Zn2 O12 86.9(3) . 2_665
O13 Zn2 O12 155.5(2) . 2_665
O2 Zn2 Zn1 176.5(2) . .
O17 Zn2 Zn1 82.29(17) . .
O20 Zn2 Zn1 77.93(19) . .
O13 Zn2 Zn1 77.99(16) . .
O12 Zn2 Zn1 77.52(16) 2_665 .
O33 Zn3 O33 129.6(5) . 8_575
O33 Zn3 O1R 110.3(4) . 2_664
O33 Zn3 O1R 110.3(4) 8_575 2_664
O33 Zn3 O23 101.3(7) . 2_664
O33 Zn3 O23 101.3(7) 8_575 2_664
O1R Zn3 O23 27.3(15) 2_664 2_664
O33 Zn3 O27 101.1(3) . 5_665
O33 Zn3 O27 101.1(3) 8_575 5_665
O1R Zn3 O27 98.3(13) 2_664 5_665
O23 Zn3 O27 125.6(17) 2_664 5_665
O33 Zn3 O2B 86.6(8) . 2_664
O33 Zn3 O2B 86.6(8) 8_575 2_664
O1R Zn3 O2B 62.6(19) 2_664 2_664
O23 Zn3 O2B 35(2) 2_664 2_664
O27 Zn3 O2B 160.9(17) 5_665 2_664
O33 Zn3 O113 124.7(10) . 7_765
O33 Zn3 O113 103.0(9) 8_575 7_765
O1R Zn3 O113 20.3(12) 2_664 7_765
O23 Zn3 O113 45.6(18) 2_664 7_765
O27 Zn3 O113 81.3(11) 5_665 7_765
O2B Zn3 O113 80.0(19) 2_664 7_765
O33 Zn3 O113 103.0(9) . 2_664
O33 Zn3 O113 124.7(10) 8_575 2_664
O1R Zn3 O113 20.3(12) 2_664 2_664
O23 Zn3 O113 45.6(18) 2_664 2_664
O27 Zn3 O113 81.3(11) 5_665 2_664
O2B Zn3 O113 80.0(19) 2_664 2_664
O113 Zn3 O113 21.9(19) 7_765 2_664
O33 Zn3 O112 92.6(10) . 7_765
O33 Zn3 O112 67.3(10) 8_575 7_765
O1R Zn3 O112 79.4(15) 2_664 7_765
O23 Zn3 O112 53.0(18) 2_664 7_765
O27 Zn3 O112 166.0(9) 5_665 7_765
O2B Zn3 O112 21.4(13) 2_664 7_765
O113 Zn3 O112 93.4(14) 7_765 7_765
O113 Zn3 O112 98.6(14) 2_664 7_765
O33 Zn3 O112 67.3(10) . 2_664
O33 Zn3 O112 92.6(10) 8_575 2_664
O1R Zn3 O112 79.4(15) 2_664 2_664
O23 Zn3 O112 53.0(18) 2_664 2_664
O27 Zn3 O112 166.0(9) 5_665 2_664
O2B Zn3 O112 21.4(13) 2_664 2_664
O113 Zn3 O112 98.6(14) 7_765 2_664
O113 Zn3 O112 93.4(14) 2_664 2_664
O112 Zn3 O112 27.6(19) 7_765 2_664
O1C Zn4 O24 110.7(2) . 8_575
O1C Zn4 O24 110.7(2) . .
O24 Zn4 O24 131.1(5) 8_575 .
O1C Zn4 O32 100.6(5) . 5_665
O24 Zn4 O32 98.4(3) 8_575 5_665
O24 Zn4 O32 98.4(3) . 5_665
O1C Zn4 O1D 77.5(8) . .
O24 Zn4 O1D 82.4(4) 8_575 .
O24 Zn4 O1D 82.4(4) . .
O32 Zn4 O1D 178.1(7) 5_665 .
O16 Zn5 O4 124.7(3) 6_556 2_665
O16 Zn5 O22 114.1(3) 6_556 .
O4 Zn5 O22 114.7(3) 2_665 .
O16 Zn5 O5 98.5(3) 6_556 5_666
O4 Zn5 O5 95.5(3) 2_665 5_666
O22 Zn5 O5 101.9(3) . 5_666
O16 Zn5 O46 97.6(2) 6_556 .
O4 Zn5 O46 87.0(3) 2_665 .
O22 Zn5 O46 58.1(2) . .
O5 Zn5 O46 158.4(2) 5_666 .
O16 Zn5 C79 108.7(3) 6_556 .
O4 Zn5 C79 101.2(3) 2_665 .
O22 Zn5 C79 29.4(3) . .
O5 Zn5 C79 130.7(3) 5_666 .
O46 Zn5 C79 28.8(3) . .
Zn1N Zn6 O1Y 179.7(7) . .
Zn1N Zn6 O37 73.2(5) . .
O1Y Zn6 O37 106.5(7) . .
Zn1N Zn6 O28 74.1(2) . 2_664
O1Y Zn6 O28 106.0(3) . 2_664
O37 Zn6 O28 111.1(3) . 2_664
Zn1N Zn6 O28 74.1(2) . 7_755
O1Y Zn6 O28 106.0(3) . 7_755
O37 Zn6 O28 111.1(3) . 7_755
O28 Zn6 O28 115.5(4) 2_664 7_755
O7 Zn7 O19 106.78(18) . .
O7 Zn7 O19 106.78(18) . 8_565
O19 Zn7 O19 145.6(3) . 8_565
O7 Zn7 O6 97.4(5) . .
O19 Zn7 O6 91.5(2) . .
O19 Zn7 O6 91.5(2) 8_565 .
O7 Zn7 O1A 91.3(6) . .
O19 Zn7 O1A 86.0(2) . .
O19 Zn7 O1A 86.0(2) 8_565 .
O6 Zn7 O1A 171.4(5) . .
O8 Zn8 Zn1N 163.1(7) . 2_665
O8 Zn8 O25 114.3(3) . 8_575
Zn1N Zn8 O25 70.3(2) 2_665 8_575
O8 Zn8 O25 114.3(3) . .
Zn1N Zn8 O25 70.3(2) 2_665 .
O25 Zn8 O25 125.7(5) 8_575 .
O8 Zn8 O1J 66.8(19) . 2_665
Zn1N Zn8 O1J 130.1(18) 2_665 2_665
O25 Zn8 O1J 88.9(9) 8_575 2_665
O25 Zn8 O1J 88.9(9) . 2_665
O8 Zn8 O39 99.0(8) . 2_665
Zn1N Zn8 O39 64.0(4) 2_665 2_665
O25 Zn8 O39 97.4(3) 8_575 2_665
O25 Zn8 O39 97.4(3) . 2_665
O1J Zn8 O39 165.9(19) 2_665 2_665
O8 Zn8 O1M 84.1(11) . .
Zn1N Zn8 O1M 112.8(9) 2_665 .
O25 Zn8 O1M 81.2(4) 8_575 .
O25 Zn8 O1M 81.2(4) . .
O1J Zn8 O1M 17.3(18) 2_665 .
O39 Zn8 O1M 176.8(9) 2_665 .
O99 Zn9 O99 25.4(14) 8_565 .
O99 Zn9 O18 95.5(7) 8_565 8_565
O99 Zn9 O18 119.6(8) . 8_565
O99 Zn9 O18 119.6(8) 8_565 .
O99 Zn9 O18 95.5(7) . .
O18 Zn9 O18 129.2(4) 8_565 .
O99 Zn9 O9 100.6(10) 8_565 .
O99 Zn9 O9 100.6(10) . .
O18 Zn9 O9 104.0(2) 8_565 .
O18 Zn9 O9 104.0(2) . .
O99 Zn9 O1F 26.3(11) 8_565 .
O99 Zn9 O1F 26.3(11) . .
O18 Zn9 O1F 99.1(4) 8_565 .
O18 Zn9 O1F 99.1(4) . .
O9 Zn9 O1F 124.1(9) . .
O99 Zn9 O1P 69.0(13) 8_565 .
O99 Zn9 O1P 69.0(13) . .
O18 Zn9 O1P 80.1(4) 8_565 .
O18 Zn9 O1P 80.1(4) . .
O9 Zn9 O1P 169.3(10) . .
O1F Zn9 O1P 45.2(13) . .
N11 Fe10 N11 180.0(9) 5_665 .
N11 Fe10 N21 56.1(10) 5_665 .
N11 Fe10 N21 123.9(10) . .
N11 Fe10 N21 123.9(10) 5_665 5_665
N11 Fe10 N21 56.1(10) . 5_665
N21 Fe10 N21 180.0(14) . 5_665
N11 Fe10 N19 88.0(7) 5_665 .
N11 Fe10 N19 92.0(7) . .
N21 Fe10 N19 60.6(9) . .
N21 Fe10 N19 119.4(9) 5_665 .
N11 Fe10 N19 92.0(7) 5_665 5_665
N11 Fe10 N19 88.0(7) . 5_665
N21 Fe10 N19 119.4(9) . 5_665
N21 Fe10 N19 60.6(9) 5_665 5_665
N19 Fe10 N19 179.998(2) . 5_665
N11 Fe10 N1B 57.8(10) 5_665 5_665
N11 Fe10 N1B 122.2(10) . 5_665
N21 Fe10 N1B 88.9(9) . 5_665
N21 Fe10 N1B 91.1(9) 5_665 5_665
N19 Fe10 N1B 62.1(9) . 5_665
N19 Fe10 N1B 117.9(9) 5_665 5_665
N11 Fe10 N1B 122.2(10) 5_665 .
N11 Fe10 N1B 57.8(10) . .
N21 Fe10 N1B 91.1(9) . .
N21 Fe10 N1B 88.9(9) 5_665 .
N19 Fe10 N1B 117.9(9) . .
N19 Fe10 N1B 62.1(9) 5_665 .
N1B Fe10 N1B 179.999(3) 5_665 .
N11 Fe10 O1E 126.8(9) 5_665 .
N11 Fe10 O1E 53.2(9) . .
N21 Fe10 O1E 88.9(10) . .
N21 Fe10 O1E 91.1(10) 5_665 .
N19 Fe10 O1E 38.9(8) . .
N19 Fe10 O1E 141.1(8) 5_665 .
N1B Fe10 O1E 86.3(11) 5_665 .
N1B Fe10 O1E 93.7(11) . .
N11 Fe10 O1E 53.2(9) 5_665 5_665
N11 Fe10 O1E 126.8(9) . 5_665
N21 Fe10 O1E 91.1(10) . 5_665
N21 Fe10 O1E 88.9(10) 5_665 5_665
N19 Fe10 O1E 141.1(8) . 5_665
N19 Fe10 O1E 38.9(8) 5_665 5_665
N1B Fe10 O1E 93.7(11) 5_665 5_665
N1B Fe10 O1E 86.3(11) . 5_665
O1E Fe10 O1E 179.997(4) . 5_665
N11 Fe10 O11 92.3(10) 5_665 .
N11 Fe10 O11 87.7(10) . .
N21 Fe10 O11 50.5(9) . .
N21 Fe10 O11 129.5(9) 5_665 .
N19 Fe10 O11 92.9(9) . .
N19 Fe10 O11 87.1(9) 5_665 .
N1B Fe10 O11 139.4(8) 5_665 .
N1B Fe10 O11 40.6(8) . .
O1E Fe10 O11 92.9(10) . .
O1E Fe10 O11 87.1(10) 5_665 .
N11 Fe10 O11 87.7(10) 5_665 5_665
N11 Fe10 O11 92.3(10) . 5_665
N21 Fe10 O11 129.5(9) . 5_665
N21 Fe10 O11 50.5(9) 5_665 5_665
N19 Fe10 O11 87.1(9) . 5_665
N19 Fe10 O11 92.9(9) 5_665 5_665
N1B Fe10 O11 40.6(8) 5_665 5_665
N1B Fe10 O11 139.4(8) . 5_665
O1E Fe10 O11 87.1(10) . 5_665
O1E Fe10 O11 92.9(10) 5_665 5_665
O11 Fe10 O11 179.997(4) . 5_665
C30 O12 Zn2 129.3(5) . 2_664
C50 O13 Zn2 128.1(5) . .
C30 O14 Zn1 125.2(5) . 2_664
C58 O15 Zn1 130.9(5) . .
C38 O16 Zn5 131.9(5) . 6_656
C58 O17 Zn2 124.0(5) . .
C74 O18 Zn9 128.3(6) . .
C74 O19 Zn7 129.1(6) . .
C73 O20 Zn2 127.6(6) . .
C79 O22 Zn5 101.5(6) . .
C36 O24 Zn4 135.7(6) . .
C87 O25 Zn8 137.6(6) . .
C87 O25 Zn1N 84.9(5) . 2_665
Zn8 O25 Zn1N 54.1(2) . 2_665
C59 O27 Zn3 134.4(9) . 5_665
C87 O28 Zn6 133.6(5) . 2_665
C87 O28 Zn1N 88.4(5) . 2_665
Zn6 O28 Zn1N 45.5(2) 2_665 2_665
C50 O29 Zn1 125.2(5) . .
O14 C30 O12 126.2(7) . .
O14 C30 C57 118.0(7) . .
O12 C30 C57 115.7(7) . .
C59 O32 Zn4 135.8(10) . 5_665
C36 O33 Zn3 135.2(6) . .
C73 O34 Zn1 125.6(6) . .
O33 C36 O24 125.8(8) . .
O33 C36 C40 118.2(7) . .
O24 C36 C40 116.0(7) . .
C43 O37 Zn6 129.5(11) . .
C43 O37 Zn1N 83.2(10) . .
Zn6 O37 Zn1N 46.2(3) . .
O4 C38 O16 125.9(7) . .
O4 C38 C64 117.4(7) . .
O16 C38 C64 116.7(7) . .
C43 O39 Zn8 139.2(11) . 2_664
C43 O39 Zn1N 85.1(10) . .
Zn8 O39 Zn1N 54.2(3) 2_664 .
C75 C40 C72 119.2(7) . .
C75 C40 C36 120.5(7) . .
C72 C40 C36 120.2(7) . .
O39 C43 O37 127.5(14) . .
O39 C43 C44 119.2(13) . .
O37 C43 C44 113.3(15) . .
O39 C43 Zn1N 63.7(9) . .
O37 C43 Zn1N 63.8(8) . .
C44 C43 Zn1N 177.1(12) . .
C70 C44 C71 119.2(11) . .
C70 C44 C43 118.1(13) . .
C71 C44 C43 122.7(12) . .
C79 O46 Zn5 78.3(6) . .
C62 C48 C69 121.3(7) . .
C62 C48 H48 119.3 . .
C69 C48 H48 119.3 . .
O29 C50 O13 127.0(7) . .
O29 C50 C51 117.1(7) . .
O13 C50 C51 115.9(7) . .
C72 C51 C56 119.4(7) . .
C72 C51 C50 120.3(7) . .
C56 C51 C50 120.3(7) . .
C71 C53 C60 120.2(12) . .
C71 C53 C59 120.5(12) . .
C60 C53 C59 119.3(12) . .
C70 C54 C60 119.8(11) . .
C70 C54 C18 120.0(12) . .
C60 C54 C18 120.2(11) . .
C80 C55 C61 119.8(8) . .
C80 C55 H55 120.1 . .
C61 C55 H55 120.1 . .
C57 C56 C51 120.4(7) . .
C57 C56 H56 119.8 . .
C51 C56 H56 119.8 . .
C56 C57 C75 119.4(7) . .
C56 C57 C30 121.2(7) . .
C75 C57 C30 119.2(7) . .
O15 C58 O17 125.8(7) . .
O15 C58 C62 118.1(7) . .
O17 C58 C62 116.1(7) . .
O27 C59 O32 124.7(13) . .
O27 C59 C53 118.2(12) . .
O32 C59 C53 117.0(13) . .
C53 C60 C54 118.3(11) . .
C53 C60 H60 120.9 . .
C54 C60 H60 120.9 . .
C99 C61 C55 119.7(8) . .
C99 C61 C73 120.5(8) . .
C55 C61 C73 119.7(8) . .
C48 C62 C63 119.0(7) . .
C48 C62 C58 121.2(7) . .
C63 C62 C58 119.8(7) . .
C64 C63 C62 119.9(7) . .
C64 C63 H63 120.1 . .
C62 C63 H63 120.1 . .
C67 C64 C63 119.9(7) . .
C67 C64 C38 120.8(7) . .
C63 C64 C38 119.2(7) . .
C64 C67 C69 120.4(7) . .
C64 C67 H67 119.8 . .
C69 C67 H67 119.8 . .
C48 C69 C67 119.4(7) . .
C48 C69 C87 121.1(7) . .
C67 C69 C87 119.5(7) . .
C44 C70 C54 120.9(13) . .
C44 C70 H70 119.5 . .
C54 C70 H70 119.5 . .
C53 C71 C44 121.6(12) . .
C53 C71 H71 119.2 . .
C44 C71 H71 119.2 . .
C51 C72 C40 121.3(7) . .
C51 C72 H72 119.4 . .
C40 C72 H72 119.4 . .
O34 C73 O20 126.7(8) . .
O34 C73 C61 118.0(8) . .
O20 C73 C61 115.3(9) . .
O19 C74 O18 126.9(9) . .
O19 C74 C80 116.8(8) . .
O18 C74 C80 116.3(8) . .
C40 C75 C57 120.4(7) . .
C40 C75 H75 119.8 . .
C57 C75 H75 119.8 . .
O46 C79 O22 121.9(9) . .
O46 C79 C98 120.0(9) . .
O22 C79 C98 117.9(8) . .
O46 C79 Zn5 72.9(6) . .
O22 C79 Zn5 49.1(5) . .
C98 C79 Zn5 165.6(7) . .
C55 C80 C81 120.4(8) . .
C55 C80 C74 120.1(8) . .
C81 C80 C74 119.4(8) . .
C80 C81 C98 119.8(8) . .
C80 C81 H81 120.1 . .
C98 C81 H81 120.1 . .
O28 C87 O25 124.9(8) . .
O28 C87 C69 119.5(7) . .
O25 C87 C69 115.6(8) . .
O28 C87 Zn1N 61.3(5) . 2_665
O25 C87 Zn1N 63.6(5) . 2_665
C69 C87 Zn1N 178.0(6) . 2_665
C99 C98 C81 120.2(8) . .
C99 C98 C79 119.9(8) . .
C81 C98 C79 119.7(8) . .
C98 C99 C61 120.1(8) . .
C98 C99 H99 119.9 . .
C61 C99 H99 119.9 . .
O10 S1 O102 60.5(15) . .
O10 S1 O1 115.2(7) . .
O102 S1 O1 169.0(15) . .
O10 S1 O5 109.8(6) . .
O102 S1 O5 62.3(14) . .
O1 S1 O5 113.0(5) . .
O10 S1 C5 106.0(6) . .
O102 S1 C5 84.1(15) . .
O1 S1 C5 106.9(6) . .
O5 S1 C5 105.1(5) . .
C1N O2 Zn2 120.1(9) . .
C38 O4 Zn5 141.2(6) . 2_664
S1 O5 O102 57.3(14) . .
S1 O5 Zn5 131.3(4) . 5_666
O102 O5 Zn5 155.2(14) . 5_666
S1 O10 O102 59.9(15) . .
O9 C18 O6 126.0(12) . .
O9 C18 C54 114.6(12) . .
O6 C18 C54 119.4(11) . .
C18 O6 Zn7 120.8(8) . .
O106 O7 Zn7 130(4) . .
C18 O9 Zn9 142.6(9) . .
C16 C5 C15 120.0(13) . .
C16 C5 S1 121.2(11) . .
C15 C5 S1 118.8(10) . .
C19 C6 C13 118.5(15) . .
C19 C6 C1 120.3(15) . .
C13 C6 C1 120.7(14) . .
C20 N11 C33 98.4(17) . .
C20 N11 O1E 160(2) . .
C33 N11 O1E 63.1(14) . .
C20 N11 N21 81.0(16) . 5_665
C33 N11 N21 131(2) . 5_665
O1E N11 N21 104.0(15) . 5_665
C20 N11 Fe10 131.7(16) . .
C33 N11 Fe10 129.1(13) . .
O1E N11 Fe10 66.0(11) . .
N21 N11 Fe10 62.4(9) 5_665 .
C19 C15 C5 118.9(15) . .
C19 C15 H15 120.6 . .
C5 C15 H15 120.6 . .
C5 C16 C13 119.6(16) . .
C5 C16 H16 120.2 . .
C13 C16 H16 120.2 . .
C6 C19 C15 122.1(18) . .
C6 C19 H19 118.9 . .
C15 C19 H19 118.9 . .
C20 C1 C49 87(2) 5_665 5_665
C20 C1 C37 63.1(18) 5_665 .
C49 C1 C37 127.2(16) 5_665 .
C20 C1 C34 124.5(14) 5_665 .
C49 C1 C34 79(2) 5_665 .
C37 C1 C34 84.2(18) . .
C20 C1 C6 121.3(15) 5_665 .
C49 C1 C6 116.4(17) 5_665 .
C37 C1 C6 116.2(15) . .
C34 C1 C6 112.9(14) . .
C6 C13 C16 119.6(15) . .
C6 C13 H13 120.2 . .
C16 C13 H13 120.2 . .
O1E C2 N19 60.6(16) . .
O1E C2 C8 173.5(19) . .
N19 C2 C8 114.6(15) . .
O1E C2 C22 59.2(14) . .
N19 C2 C22 119.8(15) . .
C8 C2 C22 125.5(16) . .
O1E N19 C2 56.9(15) . .
O1E N19 C34 157(2) . .
C2 N19 C34 100.4(15) . .
O1E N19 Fe10 73.4(14) . .
C2 N19 Fe10 130.2(12) . .
C34 N19 Fe10 129.3(14) . .
N11 C20 C1 121(2) . 5_665
N11 C20 C3 111.2(19) . .
C1 C20 C3 124.8(17) 5_665 .
N11 C20 C37 99.4(18) . 5_665
C1 C20 C37 62.1(12) 5_665 5_665
C3 C20 C37 126(2) . 5_665
N11 C20 C49 86.9(18) . .
C1 C20 C49 48.1(15) 5_665 .
C3 C20 C49 125(2) . .
C37 C20 C49 98.7(19) 5_665 .
O1E C22 C1V 167(2) . .
O1E C22 C2 54.1(13) . .
C1V C22 C2 113(2) . .
O1E C22 C33 73.2(14) . .
C1V C22 C33 119(2) . .
C2 C22 C33 127.3(15) . .
O1E C22 C24 166(2) . .
C1V C22 C24 9(2) . .
C2 C22 C24 113(2) . .
C33 C22 C24 120(2) . .
C3 C23 C33 98.8(18) . .
C3 C23 H23 130.6 . .
C33 C23 H23 130.6 . .
C31 C24 C28 120.0 . .
C31 C24 C22 123(2) . .
C28 C24 C22 116(2) . .
C24 C31 C10 120.0 . .
C24 C31 H31 120.0 . .
C10 C31 H31 120.0 . .
C14 C10 C31 120.0 . .
C14 C10 H10 120.0 . .
C31 C10 H10 120.0 . .
C10 C14 C11 120.0 . .
C10 C14 O98 146(2) . 8_575
C11 C14 O98 91(2) . 8_575
C10 C14 S6 118.9(15) . .
C11 C14 S6 120.4(15) . .
O98 C14 S6 37.8(9) 8_575 .
C14 C11 C28 120.0 . .
C14 C11 H11 120.0 . .
C28 C11 H11 120.0 . .
C11 C28 C24 120.0 . .
C11 C28 H28 120.0 . .
C24 C28 H28 120.0 . .
C8 C32 C34 107.9(18) . .
C8 C32 H32 126.1 . .
C34 C32 H32 126.1 . .
N11 C33 C23 120.1(17) . .
N11 C33 C22 121.6(16) . .
C23 C33 C22 118.0(17) . .
N11 C33 O1E 71.0(15) . .
C23 C33 O1E 166(2) . .
C22 C33 O1E 50.6(12) . .
N19 C34 C32 112.9(16) . .
N19 C34 C1 121.5(16) . .
C32 C34 C1 125.6(16) . .
N19 C34 C49 94.9(14) . 5_665
C32 C34 C49 127.1(17) . 5_665
C1 C34 C49 49.7(13) . 5_665
N19 C34 C37 93.5(14) . .
C32 C34 C37 132.8(16) . .
C1 C34 C37 47.8(10) . .
C49 C34 C37 85.8(16) 5_665 .
C23 C3 C20 110.9(19) . .
C23 C3 H3 124.6 . .
C20 C3 H3 124.6 . .
C7 N4 C4 135.1(16) . .
C7 N4 C12 114.7(15) . .
C4 N4 C12 110.1(16) . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N4 C12 H12A 109.5 . .
N4 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N4 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N4 C7 O1B 127.8(17) . .
N4 C7 C9 105.9(14) . .
O1B C7 C9 126.2(16) . .
C32 C8 C2 104.2(18) . .
C32 C8 H8 127.9 . .
C2 C8 H8 127.9 . .
S6 O1C S6 29.1(10) . 8_575
S6 O1C S1K 46.7(8) . .
S6 O1C S1K 70.0(9) 8_575 .
S6 O1C S1K 70.0(9) . 8_575
S6 O1C S1K 46.7(8) 8_575 8_575
S1K O1C S1K 86.3(12) . 8_575
S6 O1C Zn4 156.1(9) . .
S6 O1C Zn4 156.1(9) 8_575 .
S1K O1C Zn4 131.8(7) . .
S1K O1C Zn4 131.8(7) 8_575 .
C105 O1D C105 63(3) . 8_575
C105 O1D Zn4 125.8(18) . .
C105 O1D Zn4 125.8(18) 8_575 .
S6 S6 O98 100(3) 8_575 8_575
S6 S6 O67 118(2) 8_575 .
O98 S6 O67 88(3) 8_575 .
S6 S6 O1C 75.5(5) 8_575 .
O98 S6 O1C 144(3) 8_575 .
O67 S6 O1C 126(2) . .
S6 S6 O98 51(2) 8_575 .
O98 S6 O98 49(5) 8_575 .
O67 S6 O98 109(2) . .
O1C S6 O98 116.5(19) . .
S6 S6 O1K 75.5(7) 8_575 .
O98 S6 O1K 113(3) 8_575 .
O67 S6 O1K 46(2) . .
O1C S6 O1K 99.6(18) . .
O98 S6 O1K 97(3) . .
S6 S6 C14 146.2(9) 8_575 .
O98 S6 C14 66(2) 8_575 .
O67 S6 C14 93(2) . .
O1C S6 C14 98.5(9) . .
O98 S6 C14 108(3) . .
O1K S6 C14 137.9(12) . .
S6 S6 O67 42.2(16) 8_575 8_575
O98 S6 O67 99(2) 8_575 8_575
O67 S6 O67 76(4) . 8_575
O1C S6 O67 99.8(15) . 8_575
O98 S6 O67 64(3) . 8_575
O1K S6 O67 36.9(18) . 8_575
C14 S6 O67 161.6(16) . 8_575
C25 O11 C1B 68.0(14) . .
C25 O11 N1B 59.4(13) . .
C1B O11 N1B 127(2) . .
C25 O11 C1A 126(2) . .
C1B O11 C1A 58.2(12) . .
N1B O11 C1A 174(2) . .
C25 O11 N21 172(2) . .
C1B O11 N21 105.4(18) . .
N1B O11 N21 127(2) . .
C1A O11 N21 47.4(9) . .
C25 O11 Fe10 125.1(18) . .
C1B O11 Fe10 165.6(19) . .
N1B O11 Fe10 65.9(14) . .
C1A O11 Fe10 108.4(14) . .
N21 O11 Fe10 61.0(11) . .
C2 O1E N19 62.5(13) . .
C2 O1E C22 66.6(15) . .
N19 O1E C22 129(2) . .
C2 O1E C33 123(2) . .
N19 O1E C33 173(3) . .
C22 O1E C33 56.2(11) . .
C2 O1E N11 168(2) . .
N19 O1E N11 128(2) . .
C22 O1E N11 102.0(16) . .
C33 O1E N11 45.9(8) . .
C2 O1E Fe10 130.2(18) . .
N19 O1E Fe10 67.8(15) . .
C22 O1E Fe10 162.8(18) . .
C33 O1E Fe10 106.7(14) . .
N11 O1E Fe10 60.9(11) . .
N21 C1A C17 118(2) . .
N21 C1A C1B 120.5(19) . .
C17 C1A C1B 122(2) . .
N21 C1A O11 70.5(16) . .
C17 C1A O11 171(2) . .
C1B C1A O11 50.2(12) . .
O11 C25 N1B 64.9(17) . .
O11 C25 C1C 174(2) . .
N1B C25 C1C 115(2) . .
O11 C25 C1B 56.6(15) . .
N1B C25 C1B 121.5(18) . .
C1C C25 C1B 123(2) . .
C25 N1B C49 101(2) . .
C25 N1B O11 55.7(15) . .
C49 N1B O11 156(3) . .
C25 N1B Fe10 129.0(16) . .
C49 N1B Fe10 129.7(19) . .
O11 N1B Fe10 73.5(14) . .
C29 C17 C1A 104(2) . .
C29 C17 H17 128.0 . .
C1A C17 H17 128.0 . .
C37 N21 C1A 96.8(17) . .
C37 N21 O11 158(2) . .
C1A N21 O11 62.0(16) . .
C37 N21 N11 82.9(17) . 5_665
C1A N21 N11 136(2) . 5_665
O11 N21 N11 109.2(15) . 5_665
C37 N21 Fe10 132.5(17) . .
C1A N21 Fe10 130.6(16) . .
O11 N21 Fe10 68.5(12) . .
N11 N21 Fe10 61.4(9) 5_665 .
C17 C29 C37 104(2) . .
C17 C29 H29 127.9 . .
C37 C29 H29 127.9 . .
N21 C37 C29 117(2) . .
N21 C37 C1 118.6(19) . .
C29 C37 C1 123(2) . .
N21 C37 C20 96.7(19) . 5_665
C29 C37 C20 127(3) . 5_665
C1 C37 C20 54.8(13) . 5_665
N21 C37 C34 87.8(18) . .
C29 C37 C34 126(2) . .
C1 C37 C34 48.0(10) . .
C20 C37 C34 92.0(16) 5_665 .
O11 C1B C1A 71.6(15) . .
O11 C1B C25 55.3(14) . .
C1A C1B C25 126.9(16) . .
O11 C1B C1F 171(2) . .
C1A C1B C1F 115(2) . .
C25 C1B C1F 117.5(19) . .
O11 C1B C1L 165(2) . .
C1A C1B C1L 119(2) . .
C25 C1B C1L 113(2) . .
C1F C1B C1L 16(2) . .
S4 O1F S4 34.2(14) . 8_565
S4 O1F O1P 151.9(16) . .
S4 O1F O1P 151.9(16) 8_565 .
S4 O1F Zn9 121.8(15) . .
S4 O1F Zn9 121.8(15) 8_565 .
O1P O1F Zn9 79.1(15) . .
C1D C1C C25 104(3) . .
C1D C1C H1C 128.2 . .
C25 C1C H1C 128.2 . .
N1B C49 C1D 112(3) . .
N1B C49 C1 122(2) . 5_665
C1D C49 C1 126(2) . 5_665
N1B C49 C34 94(2) . 5_665
C1D C49 C34 131(3) . 5_665
C1 C49 C34 51.7(12) 5_665 5_665
N1B C49 C20 93(2) . .
C1D C49 C20 132(3) . .
C1 C49 C20 44.9(13) 5_665 .
C34 C49 C20 83.5(16) 5_665 .
C1C C1D C49 108(3) . .
C1C C1D H1D 125.9 . .
C49 C1D H1D 125.9 . .
S4 S4 O1T 106(3) 8_565 8_565
S4 S4 O1T 39(2) 8_565 .
O1T S4 O1T 67(5) 8_565 .
S4 S4 O1F 72.9(7) 8_565 .
O1T S4 O1F 144(4) 8_565 .
O1T S4 O1F 105(2) . .
S4 S4 C26 140.5(15) 8_565 .
O1T S4 C26 47(4) 8_565 .
O1T S4 C26 107(2) . .
O1F S4 C26 110.5(11) . .
C1E C1F C1H 120.0 . .
C1E C1F C1B 120(2) . .
C1H C1F C1B 120(2) . .
C1F C1E C46 120.0 . .
C1F C1E H1E 120.0 . .
C46 C1E H1E 120.0 . .
C1E C46 C26 120.0 . .
C1E C46 H46 120.0 . .
C26 C46 H46 120.0 . .
O1T C26 C1G 145(4) 8_565 .
O1T C26 C46 91(4) 8_565 .
C1G C26 C46 120.0 . .
O1T C26 S4 32.3(17) 8_565 .
C1G C26 S4 120(3) . .
C46 C26 S4 120(3) . .
C26 C1G C1H 120.0 . .
C26 C1G H1G 120.0 . .
C1H C1G H1G 120.0 . .
C1G C1H C1F 120.0 . .
C1G C1H H1H 120.0 . .
C1F C1H H1H 120.0 . .
O1G S2 O1I 112(2) . .
O1G S2 O1H 111.6(17) . .
O1I S2 O1H 114(2) . .
O1G S2 C65 110(2) . .
O1I S2 C65 101.0(17) . .
O1H S2 C65 108(2) . .
S2 O1G O1G 158.0(13) . 8_565
S2 O1I O3 137(4) . .
C1I C1L C1K 120.0 . .
C1I C1L C1B 124(3) . .
C1K C1L C1B 116(3) . .
C86 C1I C1L 120.0 . .
C86 C1I H1I 120.0 . .
C1L C1I H1I 120.0 . .
C65 C86 C1I 120.0 . .
C65 C86 O1T 102(3) . 8_565
C1I C86 O1T 136(3) . 8_565
C65 C86 H86 120.0 . .
C1I C86 H86 120.0 . .
O1T C86 H86 21.1 8_565 .
C86 C65 C1J 120.0 . .
C86 C65 S2 118(3) . .
C1J C65 S2 122(3) . .
C1K C1J C65 120.0 . .
C1K C1J H1J 120.0 . .
C65 C1J H1J 120.0 . .
C1J C1K C1L 120.0 . .
C1J C1K H1K 120.0 . .
C1L C1K H1K 120.0 . .
O1M O1J C1R 28(4) 2_664 2_664
O1M O1J C1R 28(4) 2_664 7_755
C1R O1J C1R 47(3) 2_664 7_755
O1M O1J Zn8 103(9) 2_664 2_664
C1R O1J Zn8 116(3) 2_664 2_664
C1R O1J Zn8 116(3) 7_755 2_664
O2 C1N N20 119(2) . .
O2 C1N C1M 147(3) . .
N20 C1N C1M 94(3) . .
C1N N20 C1O 127(2) . .
C1N N20 C1P 115(2) . .
C1O N20 C1P 118(2) . .
O1J O1M C1R 136(5) 2_665 8_575
O1J O1M C1R 136(5) 2_665 .
C1R O1M C1R 72(3) 8_575 .
O1J O1M Zn8 60(8) 2_665 .
C1R O1M Zn8 133(2) 8_575 .
C1R O1M Zn8 133(2) . .
N7 C1Q N1L 67.9(16) . .
C1R N7 C21 122(2) . .
C1R N7 C1Q 127(2) . .
C21 N7 C1Q 111(2) . .
C1R N7 N1L 132.5(18) . .
C21 N7 N1L 79(2) . .
C1Q N7 N1L 56.1(10) . .
C1W C21 N7 104(2) . .
O1M C1R N7 130(3) . .
O1M C1R C1R 54.1(14) . 8_575
N7 C1R C1R 131.2(13) . 8_575
O1M C1R C1S 117(3) . .
N7 C1R C1S 113(3) . .
C1R C1R C1S 84.8(18) 8_575 .
O1M C1R O1J 15(2) . 2_665
N7 C1R O1J 115(3) . 2_665
C1R C1R O1J 66.3(13) 8_575 2_665
C1S C1R O1J 131(3) . 2_665
O1M C1R C1S 90(2) . 8_575
N7 C1R C1S 133(2) . 8_575
C1R C1R C1S 49.0(12) 8_575 8_575
C1S C1R C1S 36(3) . 8_575
O1J C1R C1S 105(2) 2_665 8_575
C1S C1S C1R 95.2(18) 8_575 .
C1S C1S C1R 49.0(12) 8_575 8_575
C1R C1S C1R 46.2(17) . 8_575
O107 O1P O1F 175(3) . .
O107 O1P Zn9 129(3) . .
O1F O1P Zn9 55.6(12) . .
O113 O1R O113 66(6) . 8_565
O113 O1R O23 146(4) . .
O113 O1R O23 146(4) 8_565 .
O113 O1R O116 50(5) . .
O113 O1R O116 50(5) 8_565 .
O23 O1R O116 147(8) . .
O113 O1R Zn3 93(5) . 2_665
O113 O1R Zn3 93(5) 8_565 2_665
O23 O1R Zn3 78(4) . 2_665
O116 O1R Zn3 134(7) . 2_665
O2D O21 O111 91(10) . .
O2D O21 O2H 62(10) . .
O111 O21 O2H 84(6) . .
S4 O1T O2F 83(4) 8_565 .
S4 O1T C26 100(7) 8_565 8_565
O2F O1T C26 159(6) . 8_565
S4 O1T O1T 74(3) 8_565 8_565
O2F O1T O1T 55(3) . 8_565
C26 O1T O1T 146(3) 8_565 8_565
S4 O1T S4 34.7(19) 8_565 .
O2F O1T S4 65(3) . .
C26 O1T S4 127(5) 8_565 .
O1T O1T S4 39(2) 8_565 .
S4 O1T O99 39(2) 8_565 8_565
O2F O1T O99 117(3) . 8_565
C26 O1T O99 75(4) 8_565 8_565
O1T O1T O99 80.7(16) 8_565 8_565
S4 O1T O99 52.8(15) . 8_565
S4 O1T C86 109(6) 8_565 8_565
O2F O1T C86 151(5) . 8_565
C26 O1T C86 10(5) 8_565 8_565
O1T O1T C86 153(5) 8_565 8_565
S4 O1T C86 138(5) . 8_565
O99 O1T C86 85(5) 8_565 8_565
O97 S1K O1K 109(2) . .
O97 S1K O1C 108(2) . .
O1K S1K O1C 92.9(13) . .
O97 S1K C90 103(3) . .
O1K S1K C90 141(2) . .
O1C S1K C90 97.8(12) . .
O97 S1K S1K 111(2) . 8_575
O1K S1K S1K 46.6(9) . 8_575
O1C S1K S1K 46.8(6) . 8_575
C90 S1K S1K 136.0(11) . 8_575
C104 C1V C1T 120.0 . .
C104 C1V C22 115(2) . .
C1T C1V C22 123(2) . .
C1V C104 C68 120.0 . .
C1V C104 H104 120.0 . .
C68 C104 H104 120.0 . .
C90 C68 C104 120.0 . .
C90 C68 H68 120.0 . .
C104 C68 H68 120.0 . .
C1U C90 C68 120.0 . .
C1U C90 S1K 122.7(17) . .
C68 C90 S1K 117.3(17) . .
C90 C1U C1T 120.0 . .
C90 C1U H1U 120.0 . .
C1T C1U H1U 120.0 . .
C1U C1T C1V 120.0 . .
C1U C1T H1T 120.0 . .
C1V C1T H1T 120.0 . .
O1K O67 S6 67(2) . .
O1K O67 O98 92(4) . 8_575
S6 O67 O98 39.0(12) . 8_575
O1K O67 S6 50(3) . 8_575
S6 O67 S6 19.7(9) . 8_575
O98 O67 S6 46.0(10) 8_575 8_575
O67 O1K O67 132(7) 8_575 .
O67 O1K S6 66(2) 8_575 8_575
O67 O1K S6 93(4) . 8_575
O67 O1K S6 93(4) 8_575 .
O67 O1K S6 66(2) . .
S6 O1K S6 29.0(14) 8_575 .
O67 O1K S1K 136(3) 8_575 .
O67 O1K S1K 57(2) . .
S6 O1K S1K 70.1(16) 8_575 .
S6 O1K S1K 46.8(11) . .
O67 O1K S1K 57(2) 8_575 8_575
O67 O1K S1K 136(3) . 8_575
S6 O1K S1K 46.8(11) 8_575 8_575
S6 O1K S1K 70.1(16) . 8_575
S1K O1K S1K 86.9(18) . 8_575
C1W O97 S1K 161(5) . .
O98 O98 S6 80(3) 8_575 8_575
O98 O98 S6 51(2) 8_575 .
S6 O98 S6 29.6(13) 8_575 .
O98 O98 C14 141(3) 8_575 8_575
S6 O98 C14 76(3) 8_575 8_575
S6 O98 C14 102(3) . 8_575
O98 O98 O67 106(2) 8_575 8_575
S6 O98 O67 53(2) 8_575 8_575
S6 O98 O67 70(2) . 8_575
C14 O98 O67 85(4) 8_575 8_575
O99 O99 O1T 99.3(16) 8_565 8_565
O99 O99 Zn9 77.3(7) 8_565 .
O1T O99 Zn9 150(2) 8_565 .
O108 O107 O1P 141(5) . .
C105 N1L C1Q 123(3) . .
C105 N1L C1W 118(3) . .
C1Q N1L C1W 119(2) . .
C105 N1L N7 134.7(19) . .
C1Q N1L N7 55.9(11) . .
C1W N1L N7 84(2) . .
O106 O1O O1L 80(5) . .
O1V O1U O1U 76(3) . 8_575
O1V O1U O117 136(4) . .
O1U O1U O117 61(2) 8_575 .
O1V O1U O1V 29(3) . 8_575
O1U O1U O1V 47.2(19) 8_575 8_575
O117 O1U O1V 108(3) . 8_575
S1 O102 O10 59.6(15) . .
S1 O102 O5 60.4(14) . .
O10 O102 O5 108(2) . .
C103 C103 C105 97(2) 8_575 .
C103 C103 C105 49.9(14) 8_575 8_575
C105 C103 C105 48(2) . 8_575
N1L C105 O1D 107(3) . .
N1L C105 C105 129.2(15) . 8_575
O1D C105 C105 58.5(15) . 8_575
N1L C105 C103 131(4) . .
O1D C105 C103 123(3) . .
C105 C105 C103 83(2) 8_575 .
N1L C105 C103 148(3) . 8_575
O1D C105 C103 98(3) . 8_575
C105 C105 C103 49.9(14) 8_575 8_575
C103 C105 C103 33(3) . 8_575
C21 C1W O97 133(4) . .
C21 C1W N1L 91(2) . .
O97 C1W N1L 136(4) . .
O1S O1X O3 33(4) . .
O7 O106 O1O 125(3) . 8_565
O7 O106 O1O 125(3) . .
O1O O106 O1O 109(6) 8_565 .
O1S O111 O21 137(6) . .
O2B O112 O112 49(4) . 8_565
O2B O112 Zn3 67(5) . 2_665
O112 O112 Zn3 76.2(10) 8_565 2_665
O1R O113 O113 57(3) . 8_565
O1R O113 O116 88(8) . .
O113 O113 O116 62(4) 8_565 .
O1R O113 O23 19(2) . .
O113 O113 O23 75.4(13) 8_565 .
O116 O113 O23 102(8) . .
O1R O113 Zn3 67(4) . 2_665
O113 O113 Zn3 79.0(9) 8_565 2_665
O116 O113 Zn3 141(5) . 2_665
O23 O113 Zn3 63(2) . 2_665
O1O O1L O1O 83(6) . 8_565
O113 O116 O113 56(9) 8_565 .
O113 O116 O1R 42(6) 8_565 .
O113 O116 O1R 42(6) . .
O113 O116 O2A 141(10) 8_565 .
O113 O116 O2A 141(10) . .
O1R O116 O2A 176(10) . .
O1U O117 O1U 59(4) 8_575 .
O2A O1Q O2G 57(7) 6_556 6_556
O2A O1Q O2G 57(7) 6_556 3_455
O2G O1Q O2G 107(10) 6_556 3_455
O3 O1S O111 123(10) . .
O3 O1S O1X 77(9) . .
O111 O1S O1X 94(5) . .
Zn6 Zn1N Zn8 173.4(5) . 2_664
Zn6 Zn1N O39 124.8(6) . .
Zn8 Zn1N O39 61.8(4) 2_664 .
Zn6 Zn1N O37 60.6(4) . .
Zn8 Zn1N O37 126.0(5) 2_664 .
O39 Zn1N O37 64.2(5) . .
Zn6 Zn1N O28 60.4(3) . 2_664
Zn8 Zn1N O28 116.3(3) 2_664 2_664
O39 Zn1N O28 128.5(3) . 2_664
O37 Zn1N O28 96.8(4) . 2_664
Zn6 Zn1N O28 60.4(3) . 7_755
Zn8 Zn1N O28 116.3(3) 2_664 7_755
O39 Zn1N O28 128.5(3) . 7_755
O37 Zn1N O28 96.8(4) . 7_755
O28 Zn1N O28 99.7(5) 2_664 7_755
Zn6 Zn1N O25 122.0(3) . 2_664
Zn8 Zn1N O25 55.6(2) 2_664 2_664
O39 Zn1N O25 88.3(4) . 2_664
O37 Zn1N O25 123.4(3) . 2_664
O28 Zn1N O25 61.9(2) 2_664 2_664
O28 Zn1N O25 136.1(5) 7_755 2_664
Zn6 Zn1N O25 122.0(3) . 7_755
Zn8 Zn1N O25 55.6(2) 2_664 7_755
O39 Zn1N O25 88.3(4) . 7_755
O37 Zn1N O25 123.4(3) . 7_755
O28 Zn1N O25 136.1(5) 2_664 7_755
O28 Zn1N O25 61.9(2) 7_755 7_755
O25 Zn1N O25 102.4(5) 2_664 7_755
Zn6 Zn1N C43 93.6(6) . .
Zn8 Zn1N C43 93.0(5) 2_664 .
O39 Zn1N C43 31.2(5) . .
O37 Zn1N C43 33.0(5) . .
O28 Zn1N C43 116.4(4) 2_664 .
O28 Zn1N C43 116.4(4) 7_755 .
O25 Zn1N C43 107.4(4) 2_664 .
O25 Zn1N C43 107.4(4) 7_755 .
Zn6 Zn1N C87 90.6(3) . 7_755
Zn8 Zn1N C87 86.6(3) 2_664 7_755
O39 Zn1N C87 110.2(3) . 7_755
O37 Zn1N C87 112.2(3) . 7_755
O28 Zn1N C87 121.2(4) 2_664 7_755
O28 Zn1N C87 30.4(2) 7_755 7_755
O25 Zn1N C87 123.8(5) 2_664 7_755
O25 Zn1N C87 31.5(3) 7_755 7_755
C43 Zn1N C87 115.3(3) . 7_755
Zn6 Zn1N C87 90.6(3) . 2_664
Zn8 Zn1N C87 86.6(3) 2_664 2_664
O39 Zn1N C87 110.2(3) . 2_664
O37 Zn1N C87 112.2(3) . 2_664
O28 Zn1N C87 30.4(2) 2_664 2_664
O28 Zn1N C87 121.2(4) 7_755 2_664
O25 Zn1N C87 31.5(3) 2_664 2_664
O25 Zn1N C87 123.8(5) 7_755 2_664
C43 Zn1N C87 115.3(3) . 2_664
C87 Zn1N C87 129.3(5) 7_755 2_664
O1V O1V O1Y 66(2) 8_575 5_665
O1V O1V O1U 104(3) 8_575 .
O1Y O1V O1U 170(4) 5_665 .
O1V O1V O1N 71.9(19) 8_575 5_665
O1Y O1V O1N 73(4) 5_665 5_665
O1U O1V O1N 108(5) . 5_665
O1V O1V O1U 47.2(19) 8_575 8_575
O1Y O1V O1U 113(3) 5_665 8_575
O1U O1V O1U 57(3) . 8_575
O1N O1V O1U 88(3) 5_665 8_575
O1V O1Y O1V 48(4) 4_645 5_665
O1V O1Y O1N 64(3) 4_645 .
O1V O1Y O1N 64(3) 5_665 .
O1V O1Y Zn6 154(2) 4_645 .
O1V O1Y Zn6 154(2) 5_665 .
O1N O1Y Zn6 129(3) . .
O1S O3 O1X 70(9) . .
O1S O3 O1I 157(10) . .
O1X O3 O1I 99(7) . .
O1V O1N O1V 36(4) 4_645 5_665
O1V O1N O1Y 43(3) 4_645 .
O1V O1N O1Y 43(3) 5_665 .
O1R O23 O2B 149(6) . .
O1R O23 O113 15.0(15) . .
O2B O23 O113 143(4) . .
O1R O23 O113 15.0(15) . 8_565
O2B O23 O113 143(4) . 8_565
O113 O23 O113 29(3) . 8_565
O1R O23 Zn3 74(4) . 2_665
O2B O23 Zn3 74(3) . 2_665
O113 O23 Zn3 72(2) . 2_665
O113 O23 Zn3 72(2) 8_565 2_665
O2G O2A O2G 117(10) . 8_565
O2G O2A O1Q 62(8) . 6_656
O2G O2A O1Q 62(8) 8_565 6_656
O2G O2A O116 107(9) . .
O2G O2A O116 107(9) 8_565 .
O1Q O2A O116 153(10) 6_656 .
O112 O2B O112 82(8) . 8_565
O112 O2B O23 136(5) . .
O112 O2B O23 136(5) 8_565 .
O112 O2B Zn3 91(5) . 2_665
O112 O2B Zn3 91(5) 8_565 2_665
O23 O2B Zn3 70(3) . 2_665
O21 O2D O2D 118(10) . 8_565
O21 O2D O2H 75(10) . .
O2D O2D O2H 154(7) 8_565 .
O1T O2F O1T 71(5) . 8_565
O2A O2G O1Q 61(9) . 6_656
O2D O2H O21 42(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O26 1.979(6) .
Zn1 O15 2.031(5) .
Zn1 O29 2.033(5) .
Zn1 O34 2.038(6) .
Zn1 O14 2.049(5) 2_665
Zn1 Zn2 2.9889(11) .
Zn2 O2 1.950(5) .
Zn2 O17 2.000(5) .
Zn2 O20 2.026(6) .
Zn2 O13 2.032(5) .
Zn2 O12 2.040(5) 2_665
Zn3 O33 1.928(6) .
Zn3 O33 1.928(6) 8_575
Zn3 O1R 1.94(3) 2_664
Zn3 O23 1.97(5) 2_664
Zn3 O27 1.984(10) 5_665
Zn3 O2B 2.01(5) 2_664
Zn3 O113 2.11(4) 7_765
Zn3 O113 2.11(4) 2_664
Zn3 O112 2.18(4) 7_765
Zn3 O112 2.18(4) 2_664
Zn4 O1C 1.878(11) .
Zn4 O24 1.923(6) 8_575
Zn4 O24 1.923(6) .
Zn4 O32 2.022(10) 5_665
Zn4 O1D 2.21(2) .
Zn5 O16 1.920(5) 6_556
Zn5 O4 1.943(6) 2_665
Zn5 O22 1.966(6) .
Zn5 O5 2.010(6) 5_666
Zn5 O46 2.487(7) .
Zn5 C79 2.548(10) .
Zn6 Zn1N 1.575(8) .
Zn6 O1Y 1.882(12) .
Zn6 O37 1.900(10) .
Zn6 O28 1.919(6) 2_664
Zn6 O28 1.919(6) 7_755
Zn7 O7 1.962(10) .
Zn7 O19 1.992(6) .
Zn7 O19 1.992(6) 8_565
Zn7 O6 2.032(8) .
Zn7 O1A 2.083(11) .
Zn8 O8 1.874(16) .
Zn8 Zn1N 1.875(8) 2_665
Zn8 O25 1.908(6) 8_575
Zn8 O25 1.908(6) .
Zn8 O1J 2.03(8) 2_665
Zn8 O39 2.038(11) 2_665
Zn8 O1M 2.29(3) .
Zn9 O99 1.920(17) 8_565
Zn9 O99 1.920(17) .
Zn9 O18 1.929(6) 8_565
Zn9 O18 1.929(6) .
Zn9 O9 1.949(10) .
Zn9 O1F 1.991(10) .
Zn9 O1P 2.37(4) .
Fe10 N11 1.989(18) 5_665
Fe10 N11 1.989(18) .
Fe10 N21 2.01(2) .
Fe10 N21 2.01(2) 5_665
Fe10 N19 2.009(18) .
Fe10 N19 2.009(18) 5_665
Fe10 N1B 2.03(2) 5_665
Fe10 N1B 2.03(2) .
Fe10 O1E 2.08(3) .
Fe10 O1E 2.08(3) 5_665
Fe10 O11 2.14(3) .
Fe10 O11 2.14(3) 5_665
O12 C30 1.246(10) .
O12 Zn2 2.040(5) 2_664
O13 C50 1.256(9) .
O14 C30 1.229(9) .
O14 Zn1 2.049(5) 2_664
O15 C58 1.256(9) .
O16 C38 1.262(9) .
O16 Zn5 1.920(5) 6_656
O17 C58 1.263(9) .
O18 C74 1.270(11) .
O19 C74 1.257(10) .
O20 C73 1.248(11) .
O22 C79 1.276(12) .
O24 C36 1.254(9) .
O25 C87 1.271(10) .
O25 Zn1N 2.178(8) 2_665
O27 C59 1.245(16) .
O27 Zn3 1.984(10) 5_665
O28 C87 1.224(10) .
O28 Zn6 1.919(6) 2_665
O28 Zn1N 2.124(7) 2_665
O29 C50 1.250(9) .
C30 C57 1.511(10) .
O32 C59 1.253(15) .
O32 Zn4 2.023(10) 5_665
O33 C36 1.220(10) .
O34 C73 1.241(11) .
C36 C40 1.490(11) .
O37 C43 1.267(18) .
O37 Zn1N 2.087(14) .
C38 O4 1.235(9) .
C38 C64 1.509(10) .
O39 C43 1.203(18) .
O39 Zn8 2.038(11) 2_664
O39 Zn1N 2.079(13) .
C40 C75 1.381(10) .
C40 C72 1.397(10) .
C43 C44 1.540(18) .
C43 Zn1N 2.311(16) .
C44 C70 1.357(18) .
C44 C71 1.38(2) .
O46 C79 1.252(11) .
C48 C62 1.364(10) .
C48 C69 1.384(11) .
C48 H48 0.9500 .
C50 C51 1.516(10) .
C51 C72 1.377(11) .
C51 C56 1.397(10) .
C53 C71 1.376(18) .
C53 C60 1.379(16) .
C53 C59 1.474(19) .
C54 C70 1.387(17) .
C54 C60 1.424(18) .
C54 C18 1.504(16) .
C55 C80 1.381(11) .
C55 C61 1.399(12) .
C55 H55 0.9500 .
C56 C57 1.386(10) .
C56 H56 0.9500 .
C57 C75 1.407(11) .
C58 C62 1.499(11) .
C60 H60 0.9500 .
C61 C99 1.394(13) .
C61 C73 1.524(11) .
C62 C63 1.406(10) .
C63 C64 1.391(11) .
C63 H63 0.9500 .
C64 C67 1.370(10) .
C67 C69 1.387(10) .
C67 H67 0.9500 .
C69 C87 1.503(11) .
C70 H70 0.9500 .
C71 H71 0.9500 .
C72 H72 0.9500 .
C74 C80 1.507(12) .
C75 H75 0.9500 .
C79 C98 1.512(13) .
C80 C81 1.387(12) .
C81 C98 1.392(12) .
C81 H81 0.9500 .
C87 Zn1N 2.421(9) 2_665
C98 C99 1.377(12) .
C99 H99 0.9500 .
S1 O10 1.441(9) .
S1 O102 1.45(4) .
S1 O1 1.465(9) .
S1 O5 1.494(7) .
S1 C5 1.791(11) .
O2 C1N 1.271(17) .
O4 Zn5 1.943(6) 2_664
O5 O102 1.52(4) .
O5 Zn5 2.011(6) 5_666
O10 O102 1.45(4) .
C18 O9 1.259(15) .
C18 O6 1.262(15) .
O7 O106 1.14(7) .
C5 C16 1.303(18) .
C5 C15 1.382(19) .
C6 C19 1.33(2) .
C6 C13 1.35(2) .
C6 C1 1.507(18) .
N11 C20 1.368(17) .
N11 C33 1.384(17) .
N11 O1E 1.82(3) .
N11 N21 1.88(3) 5_665
C15 C19 1.347(19) .
C15 H15 0.9500 .
C16 C13 1.41(2) .
C16 H16 0.9500 .
C19 H19 0.9500 .
C1 C20 1.37(3) 5_665
C1 C49 1.45(3) 5_665
C1 C37 1.485(10) .
C1 C34 1.491(10) .
C13 H13 0.9500 .
C2 O1E 1.31(3) .
C2 N19 1.387(17) .
C2 C8 1.433(17) .
C2 C22 1.483(10) .
N19 O1E 1.36(3) .
N19 C34 1.396(16) .
C20 C1 1.37(3) 5_665
C20 C3 1.464(18) .
C20 C37 1.50(4) 5_665
C20 C49 1.94(5) .
C22 O1E 1.39(3) .
C22 C1V 1.474(17) .
C22 C33 1.493(10) .
C22 C24 1.498(17) .
C23 C3 1.334(18) .
C23 C33 1.434(18) .
C23 H23 0.9500 .
C24 C31 1.3900 .
C24 C28 1.3900 .
C31 C10 1.3900 .
C31 H31 0.9500 .
C10 C14 1.3900 .
C10 H10 0.9500 .
C14 C11 1.3900 .
C14 O98 1.69(5) 8_575
C14 S6 1.803(14) .
C11 C28 1.3900 .
C11 H11 0.9500 .
C28 H28 0.9500 .
C32 C8 1.350(18) .
C32 C34 1.414(17) .
C32 H32 0.9500 .
C33 O1E 1.72(3) .
C34 C49 1.86(4) 5_665
C34 C37 1.99(4) .
C3 H3 0.9500 .
O1B C7 1.244(14) .
N4 C7 1.235(15) .
N4 C4 1.416(14) .
N4 C12 1.543(15) .
C9 C7 1.537(13) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C8 H8 0.9500 .
O1C S6 1.449(13) .
O1C S6 1.449(13) 8_575
O1C S1K 1.534(14) .
O1C S1K 1.534(14) 8_575
O1D C105 1.39(5) .
O1D C105 1.39(5) 8_575
S6 S6 0.73(3) 8_575
S6 O98 1.14(3) 8_575
S6 O67 1.446(18) .
S6 O98 1.451(18) .
S6 O1K 1.45(4) .
S6 O67 1.90(3) 8_575
O11 C25 1.32(3) .
O11 C1B 1.34(3) .
O11 N1B 1.45(3) .
O11 C1A 1.66(3) .
O11 N21 1.77(3) .
C1A N21 1.383(18) .
C1A C17 1.420(19) .
C1A C1B 1.486(10) .
C25 N1B 1.380(18) .
C25 C1C 1.447(19) .
C25 C1B 1.492(10) .
N1B C49 1.385(19) .
C17 C29 1.366(19) .
C17 H17 0.9500 .
N21 C37 1.372(18) .
N21 N11 1.88(3) 5_665
C29 C37 1.431(19) .
C29 H29 0.9500 .
C37 C20 1.50(4) 5_665
C1B C1F 1.495(17) .
C1B C1L 1.510(17) .
O1F S4 1.464(19) .
O1F S4 1.464(19) 8_565
O1F O1P 1.71(5) .
C1C C1D 1.35(2) .
C1C H1C 0.9500 .
C49 C1D 1.44(2) .
C49 C1 1.45(3) 5_665
C49 C34 1.86(4) 5_665
C1D H1D 0.9500 .
S4 S4 0.86(3) 8_565
S4 O1T 0.95(3) 8_565
S4 O1T 1.453(18) .
S4 C26 1.758(16) .
C1F C1E 1.3900 .
C1F C1H 1.3900 .
C1E C46 1.3900 .
C1E H1E 0.9500 .
C46 C26 1.3900 .
C46 H46 0.9500 .
C26 O1T 1.32(6) 8_565
C26 C1G 1.3900 .
C1G C1H 1.3900 .
C1G H1G 0.9500 .
C1H H1H 0.9500 .
S2 O1G 1.418(17) .
S2 O1I 1.445(18) .
S2 O1H 1.460(18) .
S2 C65 1.777(17) .
O1G O1G 1.63(4) 8_565
O1I O3 1.71(12) .
C1L C1I 1.3900 .
C1L C1K 1.3900 .
C1I C86 1.3900 .
C1I H1I 0.9500 .
C86 C65 1.3900 .
C86 O1T 1.72(5) 8_565
C86 H86 0.9500 .
C65 C1J 1.3900 .
C1J C1K 1.3900 .
C1J H1J 0.9500 .
C1K H1K 0.9500 .
O1J O1M 0.70(6) 2_664
O1J C1R 1.81(6) 2_664
O1J C1R 1.81(6) 7_755
O1J Zn8 2.03(8) 2_664
C1M C1N 1.53(2) .
C1N N20 1.301(18) .
N20 C1O 1.441(18) .
N20 C1P 1.481(19) .
C1O H1OA 0.9800 .
C1O H1OB 0.9800 .
C1O H1OC 0.9800 .
O1M O1J 0.70(6) 2_665
O1M C1R 1.242(18) 8_575
O1M C1R 1.242(18) .
C1Q N7 1.477(17) .
C1Q N1L 1.480(18) .
N7 C1R 1.301(18) .
N7 C21 1.449(19) .
N7 N1L 1.65(3) .
C21 C1W 1.25(6) .
C1R C1R 1.46(5) 8_575
C1R C1S 1.53(2) .
C1R O1J 1.81(6) 2_665
C1R C1S 2.01(4) 8_575
C1S C1S 1.18(9) 8_575
C1S C1R 2.01(4) 8_575
O1P O107 1.67(6) .
O1R O113 0.73(4) .
O1R O113 0.73(4) 8_565
O1R O23 0.92(5) .
O1R O116 1.10(11) .
O1R Zn3 1.94(3) 2_665
O21 O2D 1.22(19) .
O21 O111 1.67(13) .
O21 O2H 1.76(14) .
O1T S4 0.96(3) 8_565
O1T O2F 1.20(6) .
O1T C26 1.32(6) 8_565
O1T O1T 1.39(8) 8_565
O1T O99 1.69(5) 8_565
O1T C86 1.72(8) 8_565
S1K O97 1.482(18) .
S1K O1K 1.526(17) .
S1K C90 1.759(15) .
S1K S1K 2.10(3) 8_575
C1V C104 1.3900 .
C1V C1T 1.3900 .
C104 C68 1.3900 .
C104 H104 0.9500 .
C68 C90 1.3900 .
C68 H68 0.9500 .
C90 C1U 1.3900 .
C1U C1T 1.3900 .
C1U H1U 0.9500 .
C1T H1T 0.9500 .
O67 O1K 1.14(5) .
O67 O98 1.81(6) 8_575
O67 S6 1.90(3) 8_575
O1K O67 1.14(5) 8_575
O1K S6 1.45(4) 8_575
O1K S1K 1.526(17) 8_575
O97 C1W 1.29(2) .
O98 O98 1.11(9) 8_575
O98 S6 1.14(3) 8_575
O98 C14 1.69(7) 8_575
O98 O67 1.81(6) 8_575
O99 O99 0.85(5) 8_565
O99 O1T 1.69(5) 8_565
O108 O107 1.33(6) .
N1L C105 1.286(19) .
N1L C1W 1.510(19) .
O1O O106 1.36(5) .
O1O O1L 1.67(9) .
O1U O1V 1.33(6) .
O1U O1U 1.52(8) 8_575
O1U O117 1.56(8) .
O1U O1V 1.76(5) 8_575
C103 C103 1.06(9) 8_575
C103 C105 1.51(2) .
C103 C105 1.95(4) 8_575
C105 C105 1.45(7) 8_575
C105 C103 1.95(4) 8_575
O1X O1S 1.59(10) .
O1X O3 1.66(13) .
O106 O1O 1.36(5) 8_565
O111 O1S 1.47(8) .
O112 O2B 0.79(5) .
O112 O112 1.04(7) 8_565
O112 Zn3 2.18(4) 2_665
O113 O113 0.80(7) 8_565
O113 O116 0.85(10) .
O113 O23 1.59(6) .
O113 Zn3 2.11(4) 2_665
O1L O1O 1.67(9) 8_565
O116 O113 0.85(10) 8_565
O116 O2A 1.7(2) .
O117 O1U 1.56(8) 8_575
O1Q O2A 1.6(2) 6_556
O1Q O2G 1.63(14) 6_556
O1Q O2G 1.63(14) 3_455
O1S O3 0.94(11) .
Zn1N Zn8 1.875(8) 2_664
Zn1N O28 2.124(7) 2_664
Zn1N O28 2.124(7) 7_755
Zn1N O25 2.178(8) 2_664
Zn1N O25 2.178(8) 7_755
Zn1N C87 2.421(9) 7_755
Zn1N C87 2.421(9) 2_664
O1V O1V 0.87(8) 8_575
O1V O1Y 1.07(5) 5_665
O1V O1N 1.39(8) 5_665
O1V O1U 1.76(5) 8_575
O1Y O1V 1.07(5) 4_645
O1Y O1V 1.07(5) 5_665
O1Y O1N 1.48(7) .
O1N O1V 1.39(8) 4_645
O1N O1V 1.39(8) 5_665
O23 O2B 1.21(7) .
O23 O113 1.59(6) 8_565
O23 Zn3 1.97(5) 2_665
O2A O2G 1.54(15) .
O2A O2G 1.54(15) 8_565
O2A O1Q 1.6(2) 6_656
O2B O112 0.79(5) 8_565
O2B Zn3 2.01(5) 2_665
O2D O2D 1.6(4) 8_565
O2D O2H 1.61(19) .
O2F O1T 1.20(6) 8_565
O2G O1Q 1.63(14) 6_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O26 Zn1 Zn2 O2 -173(4) . .
O15 Zn1 Zn2 O2 -172(3) . .
O29 Zn1 Zn2 O2 96(3) . .
O34 Zn1 Zn2 O2 6(3) . .
O14 Zn1 Zn2 O2 -82(3) 2_665 .
O26 Zn1 Zn2 O17 -7(3) . .
O15 Zn1 Zn2 O17 -6.8(2) . .
O29 Zn1 Zn2 O17 -98.7(2) . .
O34 Zn1 Zn2 O17 171.5(2) . .
O14 Zn1 Zn2 O17 83.5(2) 2_665 .
O26 Zn1 Zn2 O20 172(3) . .
O15 Zn1 Zn2 O20 172.8(3) . .
O29 Zn1 Zn2 O20 80.9(3) . .
O34 Zn1 Zn2 O20 -8.9(3) . .
O14 Zn1 Zn2 O20 -96.8(3) 2_665 .
O26 Zn1 Zn2 O13 83(3) . .
O15 Zn1 Zn2 O13 83.9(2) . .
O29 Zn1 Zn2 O13 -7.9(2) . .
O34 Zn1 Zn2 O13 -97.7(3) . .
O14 Zn1 Zn2 O13 174.3(2) 2_665 .
O26 Zn1 Zn2 O12 -98(3) . 2_665
O15 Zn1 Zn2 O12 -97.7(3) . 2_665
O29 Zn1 Zn2 O12 170.4(3) . 2_665
O34 Zn1 Zn2 O12 80.6(3) . 2_665
O14 Zn1 Zn2 O12 -7.4(3) 2_665 2_665
O2 Zn2 O13 C50 -165.7(7) . .
O17 Zn2 O13 C50 93.1(7) . .
O20 Zn2 O13 C50 -67.6(7) . .
O12 Zn2 O13 C50 6.9(11) 2_665 .
Zn1 Zn2 O13 C50 10.8(7) . .
O26 Zn1 O15 C58 -170.6(7) . .
O29 Zn1 O15 C58 89.6(7) . .
O34 Zn1 O15 C58 5.4(10) . .
O14 Zn1 O15 C58 -70.8(7) 2_665 .
Zn2 Zn1 O15 C58 9.4(6) . .
O2 Zn2 O17 C58 -172.8(6) . .
O20 Zn2 O17 C58 7.0(12) . .
O13 Zn2 O17 C58 -69.9(6) . .
O12 Zn2 O17 C58 85.6(6) 2_665 .
Zn1 Zn2 O17 C58 8.1(6) . .
O99 Zn9 O18 C74 153.3(12) 8_565 .
O99 Zn9 O18 C74 144.7(12) . .
O18 Zn9 O18 C74 -79.3(9) 8_565 .
O9 Zn9 O18 C74 42.3(9) . .
O1F Zn9 O18 C74 170.9(11) . .
O1P Zn9 O18 C74 -147.8(12) . .
O7 Zn7 O19 C74 159.9(8) . .
O19 Zn7 O19 C74 -7.2(13) 8_565 .
O6 Zn7 O19 C74 -102.0(8) . .
O1A Zn7 O19 C74 69.7(9) . .
O2 Zn2 O20 C73 -163.1(8) . .
O17 Zn2 O20 C73 17.1(13) . .
O13 Zn2 O20 C73 94.4(8) . .
O12 Zn2 O20 C73 -61.9(8) 2_665 .
Zn1 Zn2 O20 C73 15.9(7) . .
O16 Zn5 O22 C79 -85.5(6) 6_556 .
O4 Zn5 O22 C79 67.5(6) 2_665 .
O5 Zn5 O22 C79 169.4(6) 5_666 .
O46 Zn5 O22 C79 -1.8(5) . .
O1C Zn4 O24 C36 174.3(11) . .
O24 Zn4 O24 C36 -39.3(15) 8_575 .
O32 Zn4 O24 C36 69.6(11) 5_665 .
O1D Zn4 O24 C36 -112.2(13) . .
O8 Zn8 O25 C87 -179.8(12) . .
Zn1N Zn8 O25 C87 -17.3(10) 2_665 .
O25 Zn8 O25 C87 28.4(14) 8_575 .
O1J Zn8 O25 C87 116.3(19) 2_665 .
O39 Zn8 O25 C87 -76.3(11) 2_665 .
O1M Zn8 O25 C87 100.8(13) . .
O8 Zn8 O25 Zn1N -162.4(8) . 2_665
O25 Zn8 O25 Zn1N 45.7(6) 8_575 2_665
O1J Zn8 O25 Zn1N 133.7(16) 2_665 2_665
O39 Zn8 O25 Zn1N -59.0(4) 2_665 2_665
O1M Zn8 O25 Zn1N 118.1(8) . 2_665
O26 Zn1 O29 C50 -165.7(7) . .
O15 Zn1 O29 C50 -66.5(6) . .
O34 Zn1 O29 C50 89.4(7) . .
O14 Zn1 O29 C50 16.0(11) 2_665 .
Zn2 Zn1 O29 C50 9.4(6) . .
Zn1 O14 C30 O12 -15.2(13) 2_664 .
Zn1 O14 C30 C57 161.1(5) 2_664 .
Zn2 O12 C30 O14 3.2(14) 2_664 .
Zn2 O12 C30 C57 -173.1(5) 2_664 .
O33 Zn3 O33 C36 48.8(15) 8_575 .
O1R Zn3 O33 C36 -169.2(17) 2_664 .
O23 Zn3 O33 C36 164(2) 2_664 .
O27 Zn3 O33 C36 -65.9(12) 5_665 .
O2B Zn3 O33 C36 131.7(19) 2_664 .
O113 Zn3 O33 C36 -152.9(16) 7_765 .
O113 Zn3 O33 C36 -149.4(15) 2_664 .
O112 Zn3 O33 C36 111.2(15) 7_765 .
O112 Zn3 O33 C36 122.4(15) 2_664 .
O26 Zn1 O34 C73 -173.2(7) . .
O15 Zn1 O34 C73 10.9(11) . .
O29 Zn1 O34 C73 -73.6(7) . .
O14 Zn1 O34 C73 87.4(7) 2_665 .
Zn2 Zn1 O34 C73 6.9(7) . .
Zn3 O33 C36 O24 -2.2(19) . .
Zn3 O33 C36 C40 -179.1(7) . .
Zn4 O24 C36 O33 -1.8(19) . .
Zn4 O24 C36 C40 175.3(7) . .
Zn1N Zn6 O37 C43 0.0 . .
O1Y Zn6 O37 C43 180.0 . .
O28 Zn6 O37 C43 -65.0(2) 2_664 .
O28 Zn6 O37 C43 65.0(3) 7_755 .
O1Y Zn6 O37 Zn1N 180.0 . .
O28 Zn6 O37 Zn1N -65.0(3) 2_664 .
O28 Zn6 O37 Zn1N 65.0(2) 7_755 .
Zn5 O16 C38 O4 -13.3(13) 6_656 .
Zn5 O16 C38 C64 166.7(5) 6_656 .
O33 C36 C40 C75 -6.3(14) . .
O24 C36 C40 C75 176.5(9) . .
O33 C36 C40 C72 170.6(9) . .
O24 C36 C40 C72 -6.7(13) . .
Zn8 O39 C43 O37 0.0 2_664 .
Zn1N O39 C43 O37 0.0 . .
Zn8 O39 C43 C44 180.0 2_664 .
Zn1N O39 C43 C44 180.0 . .
Zn8 O39 C43 Zn1N 0.0 2_664 .
Zn6 O37 C43 O39 0.0 . .
Zn1N O37 C43 O39 0.0 . .
Zn6 O37 C43 C44 180.0 . .
Zn1N O37 C43 C44 180.0 . .
Zn6 O37 C43 Zn1N 0.0 . .
O39 C43 C44 C70 0.0 . .
O37 C43 C44 C70 180.0 . .
Zn1N C43 C44 C70 180.000(7) . .
O39 C43 C44 C71 180.0 . .
O37 C43 C44 C71 0.0 . .
Zn1N C43 C44 C71 0.000(8) . .
O16 Zn5 O46 C79 115.5(6) 6_556 .
O4 Zn5 O46 C79 -119.9(6) 2_665 .
O22 Zn5 O46 C79 1.8(6) . .
O5 Zn5 O46 C79 -22.5(10) 5_666 .
Zn1 O29 C50 O13 -5.1(12) . .
Zn1 O29 C50 C51 175.0(5) . .
Zn2 O13 C50 O29 -7.9(13) . .
Zn2 O13 C50 C51 172.0(5) . .
O29 C50 C51 C72 175.5(7) . .
O13 C50 C51 C72 -4.4(11) . .
O29 C50 C51 C56 -6.6(11) . .
O13 C50 C51 C56 173.5(7) . .
C72 C51 C56 C57 1.8(12) . .
C50 C51 C56 C57 -176.2(7) . .
C51 C56 C57 C75 -1.6(12) . .
C51 C56 C57 C30 174.3(7) . .
O14 C30 C57 C56 -175.9(8) . .
O12 C30 C57 C56 0.7(12) . .
O14 C30 C57 C75 0.0(12) . .
O12 C30 C57 C75 176.6(8) . .
Zn1 O15 C58 O17 -6.8(12) . .
Zn1 O15 C58 C62 173.9(5) . .
Zn2 O17 C58 O15 -4.5(11) . .
Zn2 O17 C58 C62 174.7(5) . .
Zn3 O27 C59 O32 0.0 5_665 .
Zn3 O27 C59 C53 180.0 5_665 .
Zn4 O32 C59 O27 0.0 5_665 .
Zn4 O32 C59 C53 180.0 5_665 .
C71 C53 C59 O27 180.0 . .
C60 C53 C59 O27 0.0 . .
C71 C53 C59 O32 0.0 . .
C60 C53 C59 O32 180.0 . .
C71 C53 C60 C54 0.0 . .
C59 C53 C60 C54 180.0 . .
C70 C54 C60 C53 0.0 . .
C18 C54 C60 C53 180.0 . .
C80 C55 C61 C99 0.1(13) . .
C80 C55 C61 C73 176.6(8) . .
C69 C48 C62 C63 0.4(11) . .
C69 C48 C62 C58 -178.2(7) . .
O15 C58 C62 C48 176.5(7) . .
O17 C58 C62 C48 -2.9(11) . .
O15 C58 C62 C63 -2.1(11) . .
O17 C58 C62 C63 178.5(7) . .
C48 C62 C63 C64 0.8(11) . .
C58 C62 C63 C64 179.5(7) . .
C62 C63 C64 C67 -0.9(11) . .
C62 C63 C64 C38 -178.5(7) . .
O4 C38 C64 C67 -174.8(7) . .
O16 C38 C64 C67 5.2(11) . .
O4 C38 C64 C63 2.8(11) . .
O16 C38 C64 C63 -177.3(7) . .
C63 C64 C67 C69 -0.2(11) . .
C38 C64 C67 C69 177.4(7) . .
C62 C48 C69 C67 -1.5(11) . .
C62 C48 C69 C87 177.1(7) . .
C64 C67 C69 C48 1.4(11) . .
C64 C67 C69 C87 -177.2(7) . .
C71 C44 C70 C54 0.0 . .
C43 C44 C70 C54 180.0 . .
C60 C54 C70 C44 0.0 . .
C18 C54 C70 C44 180.0 . .
C60 C53 C71 C44 0.0 . .
C59 C53 C71 C44 180.0 . .
C70 C44 C71 C53 0.0 . .
C43 C44 C71 C53 180.0 . .
C56 C51 C72 C40 -1.3(12) . .
C50 C51 C72 C40 176.6(7) . .
C75 C40 C72 C51 0.7(12) . .
C36 C40 C72 C51 -176.2(8) . .
Zn1 O34 C73 O20 2.4(13) . .
Zn1 O34 C73 C61 -176.3(5) . .
Zn2 O20 C73 O34 -17.2(14) . .
Zn2 O20 C73 C61 161.5(6) . .
C99 C61 C73 O34 172.9(8) . .
C55 C61 C73 O34 -3.6(12) . .
C99 C61 C73 O20 -6.0(12) . .
C55 C61 C73 O20 177.6(8) . .
Zn7 O19 C74 O18 15.3(14) . .
Zn7 O19 C74 C80 -164.8(6) . .
Zn9 O18 C74 O19 15.1(14) . .
Zn9 O18 C74 C80 -164.7(6) . .
C72 C40 C75 C57 -0.5(12) . .
C36 C40 C75 C57 176.4(8) . .
C56 C57 C75 C40 0.9(12) . .
C30 C57 C75 C40 -175.0(8) . .
Zn5 O46 C79 O22 -2.8(9) . .
Zn5 O46 C79 C98 172.9(9) . .
Zn5 O22 C79 O46 3.5(11) . .
Zn5 O22 C79 C98 -172.3(7) . .
O16 Zn5 C79 O46 -70.8(6) 6_556 .
O4 Zn5 C79 O46 61.9(6) 2_665 .
O22 Zn5 C79 O46 -176.9(10) . .
O5 Zn5 C79 O46 169.3(5) 5_666 .
O16 Zn5 C79 O22 106.1(6) 6_556 .
O4 Zn5 C79 O22 -121.2(6) 2_665 .
O5 Zn5 C79 O22 -13.8(7) 5_666 .
O46 Zn5 C79 O22 176.9(10) . .
O16 Zn5 C79 C98 134(3) 6_556 .
O4 Zn5 C79 C98 -93(3) 2_665 .
O22 Zn5 C79 C98 28(3) . .
O5 Zn5 C79 C98 15(3) 5_666 .
O46 Zn5 C79 C98 -155(3) . .
C61 C55 C80 C81 0.0(13) . .
C61 C55 C80 C74 -176.7(8) . .
O19 C74 C80 C55 -179.0(8) . .
O18 C74 C80 C55 0.8(13) . .
O19 C74 C80 C81 4.2(13) . .
O18 C74 C80 C81 -176.0(8) . .
C55 C80 C81 C98 -0.7(13) . .
C74 C80 C81 C98 176.1(8) . .
Zn6 O28 C87 O25 7.9(15) 2_665 .
Zn1N O28 C87 O25 1.9(10) 2_665 .
Zn6 O28 C87 C69 -171.9(6) 2_665 .
Zn1N O28 C87 C69 -177.9(7) 2_665 .
Zn6 O28 C87 Zn1N 6.0(6) 2_665 2_665
Zn8 O25 C87 O28 12.2(16) . .
Zn1N O25 C87 O28 -1.9(10) 2_665 .
Zn8 O25 C87 C69 -168.0(7) . .
Zn1N O25 C87 C69 178.0(7) 2_665 .
Zn8 O25 C87 Zn1N 14.0(8) . 2_665
C48 C69 C87 O28 -170.4(8) . .
C67 C69 C87 O28 8.2(12) . .
C48 C69 C87 O25 9.7(11) . .
C67 C69 C87 O25 -171.7(8) . .
C48 C69 C87 Zn1N 77(19) . 2_665
C67 C69 C87 Zn1N -105(19) . 2_665
C80 C81 C98 C99 1.2(14) . .
C80 C81 C98 C79 -173.7(8) . .
O46 C79 C98 C99 -176.1(9) . .
O22 C79 C98 C99 -0.2(13) . .
Zn5 C79 C98 C99 -24(3) . .
O46 C79 C98 C81 -1.2(14) . .
O22 C79 C98 C81 174.7(8) . .
Zn5 C79 C98 C81 151(2) . .
C81 C98 C99 C61 -1.1(14) . .
C79 C98 C99 C61 173.8(8) . .
C55 C61 C99 C98 0.5(13) . .
C73 C61 C99 C98 -176.0(8) . .
O17 Zn2 O2 C1N -152.3(13) . .
O20 Zn2 O2 C1N 27.7(14) . .
O13 Zn2 O2 C1N 116.0(13) . .
O12 Zn2 O2 C1N -60.9(14) 2_665 .
Zn1 Zn2 O2 C1N 13(4) . .
O16 C38 O4 Zn5 -37.2(14) . 2_664
C64 C38 O4 Zn5 142.7(7) . 2_664
O10 S1 O5 O102 38.7(16) . .
O1 S1 O5 O102 168.9(17) . .
C5 S1 O5 O102 -74.9(17) . .
O10 S1 O5 Zn5 -170.6(6) . 5_666
O102 S1 O5 Zn5 150.7(17) . 5_666
O1 S1 O5 Zn5 -40.4(7) . 5_666
C5 S1 O5 Zn5 75.9(7) . 5_666
O1 S1 O10 O102 -168.6(17) . .
O5 S1 O10 O102 -39.5(16) . .
C5 S1 O10 O102 73.5(17) . .
C70 C54 C18 O9 0.0 . .
C60 C54 C18 O9 180.0 . .
C70 C54 C18 O6 180.0 . .
C60 C54 C18 O6 0.0 . .
O9 C18 O6 Zn7 0.0 . .
C54 C18 O6 Zn7 180.0 . .
O7 Zn7 O6 C18 180.0 . .
O19 Zn7 O6 C18 72.87(17) . .
O19 Zn7 O6 C18 -72.87(17) 8_565 .
O1A Zn7 O6 C18 0.000(1) . .
O19 Zn7 O7 O106 -86.2(2) . .
O19 Zn7 O7 O106 86.2(2) 8_565 .
O6 Zn7 O7 O106 180.000(8) . .
O1A Zn7 O7 O106 0.000(8) . .
O6 C18 O9 Zn9 0.0 . .
C54 C18 O9 Zn9 180.0 . .
O99 Zn9 O9 C18 167.1(7) 8_565 .
O99 Zn9 O9 C18 -167.1(7) . .
O18 Zn9 O9 C18 68.6(2) 8_565 .
O18 Zn9 O9 C18 -68.6(2) . .
O1F Zn9 O9 C18 180.0 . .
O1P Zn9 O9 C18 180.0 . .
O10 S1 C5 C16 -96.3(17) . .
O102 S1 C5 C16 -39(2) . .
O1 S1 C5 C16 140.3(16) . .
O5 S1 C5 C16 19.9(17) . .
O10 S1 C5 C15 81.8(14) . .
O102 S1 C5 C15 138.8(19) . .
O1 S1 C5 C15 -41.6(14) . .
O5 S1 C5 C15 -161.9(12) . .
N11 Fe10 N11 C20 97(4) 5_665 .
N21 Fe10 N11 C20 134(3) . .
N21 Fe10 N11 C20 -46(3) 5_665 .
N19 Fe10 N11 C20 -170(3) . .
N19 Fe10 N11 C20 10(3) 5_665 .
N1B Fe10 N11 C20 -112(3) 5_665 .
N1B Fe10 N11 C20 68(3) . .
O1E Fe10 N11 C20 -168(3) . .
O1E Fe10 N11 C20 12(3) 5_665 .
O11 Fe10 N11 C20 97(3) . .
O11 Fe10 N11 C20 -83(3) 5_665 .
N11 Fe10 N11 C33 -96(3) 5_665 .
N21 Fe10 N11 C33 -58(3) . .
N21 Fe10 N11 C33 122(3) 5_665 .
N19 Fe10 N11 C33 -3(3) . .
N19 Fe10 N11 C33 177(3) 5_665 .
N1B Fe10 N11 C33 55(3) 5_665 .
N1B Fe10 N11 C33 -125(3) . .
O1E Fe10 N11 C33 0(3) . .
O1E Fe10 N11 C33 180(3) 5_665 .
O11 Fe10 N11 C33 -96(3) . .
O11 Fe10 N11 C33 84(3) 5_665 .
N11 Fe10 N11 O1E -95.5(18) 5_665 .
N21 Fe10 N11 O1E -57.9(15) . .
N21 Fe10 N11 O1E 122.1(15) 5_665 .
N19 Fe10 N11 O1E -2.5(12) . .
N19 Fe10 N11 O1E 177.5(12) 5_665 .
N1B Fe10 N11 O1E 55.4(14) 5_665 .
N1B Fe10 N11 O1E -124.6(14) . .
O1E Fe10 N11 O1E 180.003(3) 5_665 .
O11 Fe10 N11 O1E -95.4(12) . .
O11 Fe10 N11 O1E 84.6(12) 5_665 .
N11 Fe10 N11 N21 142(2) 5_665 5_665
N21 Fe10 N11 N21 180.0 . 5_665
N19 Fe10 N11 N21 -124.6(11) . 5_665
N19 Fe10 N11 N21 55.4(11) 5_665 5_665
N1B Fe10 N11 N21 -66.7(12) 5_665 5_665
N1B Fe10 N11 N21 113.3(12) . 5_665
O1E Fe10 N11 N21 -122.1(15) . 5_665
O1E Fe10 N11 N21 57.9(15) 5_665 5_665
O11 Fe10 N11 N21 142.6(12) . 5_665
O11 Fe10 N11 N21 -37.4(12) 5_665 5_665
C16 C5 C15 C19 -7(3) . .
S1 C5 C15 C19 175.0(15) . .
C15 C5 C16 C13 9(3) . .
S1 C5 C16 C13 -172.6(17) . .
C13 C6 C19 C15 -8(3) . .
C1 C6 C19 C15 -179.9(18) . .
C5 C15 C19 C6 6(3) . .
C19 C6 C1 C20 -61(3) . 5_665
C13 C6 C1 C20 127(3) . 5_665
C19 C6 C1 C49 42(3) . 5_665
C13 C6 C1 C49 -130(3) . 5_665
C19 C6 C1 C37 -135(2) . .
C13 C6 C1 C37 54(3) . .
C19 C6 C1 C34 130(2) . .
C13 C6 C1 C34 -41(3) . .
C19 C6 C13 C16 10(4) . .
C1 C6 C13 C16 -178(2) . .
C5 C16 C13 C6 -11(4) . .
C8 C2 N19 O1E 175(2) . .
C22 C2 N19 O1E -2.4(18) . .
O1E C2 N19 C34 -175(2) . .
C8 C2 N19 C34 0.1(5) . .
C22 C2 N19 C34 -177.4(19) . .
O1E C2 N19 Fe10 2.0(19) . .
C8 C2 N19 Fe10 177.1(17) . .
C22 C2 N19 Fe10 0(2) . .
N11 Fe10 N19 O1E -176.8(16) 5_665 .
N11 Fe10 N19 O1E 3.2(16) . .
N21 Fe10 N19 O1E 131.6(17) . .
N21 Fe10 N19 O1E -48.4(17) 5_665 .
N19 Fe10 N19 O1E 87(17) 5_665 .
N1B Fe10 N19 O1E -122.6(17) 5_665 .
N1B Fe10 N19 O1E 57.4(17) . .
O1E Fe10 N19 O1E 179.996(4) 5_665 .
O11 Fe10 N19 O1E 91.0(15) . .
O11 Fe10 N19 O1E -89.0(15) 5_665 .
N11 Fe10 N19 C2 -178.5(17) 5_665 .
N11 Fe10 N19 C2 1.5(17) . .
N21 Fe10 N19 C2 129.9(19) . .
N21 Fe10 N19 C2 -50.1(19) 5_665 .
N19 Fe10 N19 C2 85(15) 5_665 .
N1B Fe10 N19 C2 -124.3(19) 5_665 .
N1B Fe10 N19 C2 55.7(19) . .
O1E Fe10 N19 C2 -1.7(17) . .
O1E Fe10 N19 C2 178.3(17) 5_665 .
O11 Fe10 N19 C2 89.3(17) . .
O11 Fe10 N19 C2 -90.7(17) 5_665 .
N11 Fe10 N19 C34 -2.3(17) 5_665 .
N11 Fe10 N19 C34 177.7(17) . .
N21 Fe10 N19 C34 -54.0(17) . .
N21 Fe10 N19 C34 126.0(17) 5_665 .
N19 Fe10 N19 C34 -99(15) 5_665 .
N1B Fe10 N19 C34 51.9(17) 5_665 .
N1B Fe10 N19 C34 -128.1(17) . .
O1E Fe10 N19 C34 174(2) . .
O1E Fe10 N19 C34 -6(2) 5_665 .
O11 Fe10 N19 C34 -94.5(17) . .
O11 Fe10 N19 C34 85.5(17) 5_665 .
C33 N11 C20 C1 167(3) . 5_665
O1E N11 C20 C1 -169(5) . 5_665
N21 N11 C20 C1 -63(3) 5_665 5_665
Fe10 N11 C20 C1 -23(4) . 5_665
C33 N11 C20 C3 5(3) . .
O1E N11 C20 C3 29(8) . .
N21 N11 C20 C3 135(2) 5_665 .
Fe10 N11 C20 C3 175(2) . .
C33 N11 C20 C37 -130(2) . 5_665
O1E N11 C20 C37 -106(6) . 5_665
N21 N11 C20 C37 0.0(19) 5_665 5_665
Fe10 N11 C20 C37 40(3) . 5_665
C33 N11 C20 C49 132(2) . .
O1E N11 C20 C49 156(6) . .
N21 N11 C20 C49 -98.3(16) 5_665 .
Fe10 N11 C20 C49 -58(3) . .
N19 C2 C22 O1E 2.4(18) . .
C8 C2 C22 O1E -175(2) . .
O1E C2 C22 C1V -177(2) . .
N19 C2 C22 C1V -175(2) . .
C8 C2 C22 C1V 8(2) . .
O1E C2 C22 C33 -3(2) . .
N19 C2 C22 C33 0(2) . .
C8 C2 C22 C33 -177.4(18) . .
O1E C2 C22 C24 173(2) . .
N19 C2 C22 C24 176(2) . .
C8 C2 C22 C24 -2(2) . .
O1E C22 C24 C31 132(7) . .
C1V C22 C24 C31 15(16) . .
C2 C22 C24 C31 110(2) . .
C33 C22 C24 C31 -74(3) . .
O1E C22 C24 C28 -58(9) . .
C1V C22 C24 C28 -174(18) . .
C2 C22 C24 C28 -80(2) . .
C33 C22 C24 C28 96(2) . .
C28 C24 C31 C10 0.0 . .
C22 C24 C31 C10 170(3) . .
C24 C31 C10 C14 0.0 . .
C31 C10 C14 C11 0.0 . .
C31 C10 C14 O98 153(3) . 8_575
C31 C10 C14 S6 -170.1(16) . .
C10 C14 C11 C28 0.0 . .
O98 C14 C11 C28 -165(2) 8_575 .
S6 C14 C11 C28 170.0(16) . .
C14 C11 C28 C24 0.0 . .
C31 C24 C28 C11 0.0 . .
C22 C24 C28 C11 -170(3) . .
C20 N11 C33 C23 0(4) . .
O1E N11 C33 C23 -171(3) . .
N21 N11 C33 C23 -85(3) 5_665 .
Fe10 N11 C33 C23 -170(2) . .
C20 N11 C33 C22 174(2) . .
O1E N11 C33 C22 3(2) . .
N21 N11 C33 C22 88(3) 5_665 .
Fe10 N11 C33 C22 3(4) . .
C20 N11 C33 O1E 171(2) . .
N21 N11 C33 O1E 85(2) 5_665 .
Fe10 N11 C33 O1E 0(3) . .
C3 C23 C33 N11 -5(4) . .
C3 C23 C33 C22 -179(2) . .
C3 C23 C33 O1E -146(10) . .
O1E C22 C33 N11 -3(2) . .
C1V C22 C33 N11 173(3) . .
C2 C22 C33 N11 -1(3) . .
C24 C22 C33 N11 -177(3) . .
O1E C22 C33 C23 170(3) . .
C1V C22 C33 C23 -13(3) . .
C2 C22 C33 C23 172(2) . .
C24 C22 C33 C23 -3(3) . .
C1V C22 C33 O1E 176(2) . .
C2 C22 C33 O1E 2.2(18) . .
C24 C22 C33 O1E -173(2) . .
O1E N19 C34 C32 -11(5) . .
C2 N19 C34 C32 -0.2(9) . .
Fe10 N19 C34 C32 -177.2(17) . .
O1E N19 C34 C1 168(4) . .
C2 N19 C34 C1 179(2) . .
Fe10 N19 C34 C1 2(3) . .
O1E N19 C34 C49 123(5) . 5_665
C2 N19 C34 C49 133.8(19) . 5_665
Fe10 N19 C34 C49 -43(2) . 5_665
O1E N19 C34 C37 -151(5) . .
C2 N19 C34 C37 -140.1(16) . .
Fe10 N19 C34 C37 42.9(17) . .
C8 C32 C34 N19 0.2(12) . .
C8 C32 C34 C1 -179(3) . .
C8 C32 C34 C49 -116(2) . 5_665
C8 C32 C34 C37 119(2) . .
C20 C1 C34 N19 11(3) 5_665 .
C49 C1 C34 N19 -67(2) 5_665 .
C37 C1 C34 N19 63(2) . .
C6 C1 C34 N19 178.8(17) . .
C20 C1 C34 C32 -170(2) 5_665 .
C49 C1 C34 C32 112(2) 5_665 .
C37 C1 C34 C32 -119(2) . .
C6 C1 C34 C32 -3(3) . .
C20 C1 C34 C49 78(2) 5_665 5_665
C37 C1 C34 C49 129.8(17) . 5_665
C6 C1 C34 C49 -114(2) . 5_665
C20 C1 C34 C37 -52(2) 5_665 .
C49 C1 C34 C37 -129.8(17) 5_665 .
C6 C1 C34 C37 116.1(18) . .
C33 C23 C3 C20 7(3) . .
N11 C20 C3 C23 -8(4) . .
C1 C20 C3 C23 -170(3) 5_665 .
C37 C20 C3 C23 112(3) 5_665 .
C49 C20 C3 C23 -110(3) . .
C4 N4 C7 O1B -175.3(15) . .
C12 N4 C7 O1B 3(2) . .
C4 N4 C7 C9 2(3) . .
C12 N4 C7 C9 -179.8(12) . .
C34 C32 C8 C2 -0.1(9) . .
O1E C2 C8 C32 41(17) . .
N19 C2 C8 C32 0.0(5) . .
C22 C2 C8 C32 177(2) . .
O24 Zn4 O1C S6 141.5(19) 8_575 .
O24 Zn4 O1C S6 -65(2) . .
O32 Zn4 O1C S6 38(2) 5_665 .
O1D Zn4 O1C S6 -142(2) . .
O24 Zn4 O1C S6 65(2) 8_575 8_575
O24 Zn4 O1C S6 -141.5(19) . 8_575
O32 Zn4 O1C S6 -38(2) 5_665 8_575
O1D Zn4 O1C S6 142(2) . 8_575
O24 Zn4 O1C S1K -143.3(12) 8_575 .
O24 Zn4 O1C S1K 10.2(14) . .
O32 Zn4 O1C S1K 113.5(13) 5_665 .
O1D Zn4 O1C S1K -66.5(13) . .
O24 Zn4 O1C S1K -10.2(14) 8_575 8_575
O24 Zn4 O1C S1K 143.3(12) . 8_575
O32 Zn4 O1C S1K -113.5(13) 5_665 8_575
O1D Zn4 O1C S1K 66.5(13) . 8_575
O1C Zn4 O1D C105 140(2) . .
O24 Zn4 O1D C105 -107(2) 8_575 .
O24 Zn4 O1D C105 27(2) . .
O32 Zn4 O1D C105 140(2) 5_665 .
O1C Zn4 O1D C105 -140(2) . 8_575
O24 Zn4 O1D C105 -27(2) 8_575 8_575
O24 Zn4 O1D C105 107(2) . 8_575
O32 Zn4 O1D C105 -140(2) 5_665 8_575
S1K O1C S6 S6 136.6(9) . 8_575
S1K O1C S6 S6 32.1(7) 8_575 8_575
Zn4 O1C S6 S6 -126(2) . 8_575
S6 O1C S6 O98 86(5) 8_575 8_575
S1K O1C S6 O98 -137(5) . 8_575
S1K O1C S6 O98 119(5) 8_575 8_575
Zn4 O1C S6 O98 -39(6) . 8_575
S6 O1C S6 O67 -114(3) 8_575 .
S1K O1C S6 O67 22(3) . .
S1K O1C S6 O67 -82(3) 8_575 .
Zn4 O1C S6 O67 120(3) . .
S6 O1C S6 O98 31(3) 8_575 .
S1K O1C S6 O98 167(3) . .
S1K O1C S6 O98 63(3) 8_575 .
Zn4 O1C S6 O98 -95(3) . .
S6 O1C S6 O1K -72.2(11) 8_575 .
S1K O1C S6 O1K 64.4(13) . .
S1K O1C S6 O1K -40.0(13) 8_575 .
Zn4 O1C S6 O1K 162.0(18) . .
S6 O1C S6 C14 146.0(9) 8_575 .
S1K O1C S6 C14 -77.4(13) . .
S1K O1C S6 C14 178.1(12) 8_575 .
Zn4 O1C S6 C14 20(2) . .
S6 O1C S6 O67 -34.7(17) 8_575 8_575
S1K O1C S6 O67 101.9(18) . 8_575
S1K O1C S6 O67 -2.6(18) 8_575 8_575
Zn4 O1C S6 O67 -160(2) . 8_575
C10 C14 S6 S6 143.1(16) . 8_575
C11 C14 S6 S6 -27(2) . 8_575
O98 C14 S6 S6 -70(3) 8_575 8_575
C10 C14 S6 O98 -147(4) . 8_575
C11 C14 S6 O98 43(4) . 8_575
C10 C14 S6 O67 -60(2) . .
C11 C14 S6 O67 129(2) . .
O98 C14 S6 O67 86(3) 8_575 .
C10 C14 S6 O1C 66.5(17) . .
C11 C14 S6 O1C -103.5(17) . .
O98 C14 S6 O1C -147(3) 8_575 .
C10 C14 S6 O98 -172(2) . .
C11 C14 S6 O98 18(3) . .
O98 C14 S6 O98 -25(3) 8_575 .
C10 C14 S6 O1K -48(3) . .
C11 C14 S6 O1K 142(3) . .
O98 C14 S6 O1K 99(4) 8_575 .
C10 C14 S6 O67 -111(6) . 8_575
C11 C14 S6 O67 79(6) . 8_575
O98 C14 S6 O67 36(7) 8_575 8_575
N11 Fe10 O11 C25 145(2) 5_665 .
N11 Fe10 O11 C25 -35(2) . .
N21 Fe10 O11 C25 -174(3) . .
N21 Fe10 O11 C25 6(3) 5_665 .
N19 Fe10 O11 C25 -127(2) . .
N19 Fe10 O11 C25 53(2) 5_665 .
N1B Fe10 O11 C25 -175.4(15) 5_665 .
N1B Fe10 O11 C25 4.6(15) . .
O1E Fe10 O11 C25 -88(2) . .
O1E Fe10 O11 C25 92(2) 5_665 .
O11 Fe10 O11 C25 154(5) 5_665 .
N11 Fe10 O11 C1B -61(8) 5_665 .
N11 Fe10 O11 C1B 119(8) . .
N21 Fe10 O11 C1B -20(7) . .
N21 Fe10 O11 C1B 160(7) 5_665 .
N19 Fe10 O11 C1B 27(8) . .
N19 Fe10 O11 C1B -153(8) 5_665 .
N1B Fe10 O11 C1B -21(9) 5_665 .
N1B Fe10 O11 C1B 159(9) . .
O1E Fe10 O11 C1B 66(8) . .
O1E Fe10 O11 C1B -114(8) 5_665 .
O11 Fe10 O11 C1B -52(9) 5_665 .
N11 Fe10 O11 N1B 140.6(16) 5_665 .
N11 Fe10 O11 N1B -39.4(16) . .
N21 Fe10 O11 N1B -179(2) . .
N21 Fe10 O11 N1B 1(2) 5_665 .
N19 Fe10 O11 N1B -131.3(16) . .
N19 Fe10 O11 N1B 48.7(16) 5_665 .
N1B Fe10 O11 N1B 179.998(2) 5_665 .
O1E Fe10 O11 N1B -92.3(17) . .
O1E Fe10 O11 N1B 87.7(17) 5_665 .
O11 Fe10 O11 N1B 150(5) 5_665 .
N11 Fe10 O11 C1A -40.7(18) 5_665 .
N11 Fe10 O11 C1A 139.3(18) . .
N21 Fe10 O11 C1A 0.2(17) . .
N21 Fe10 O11 C1A -179.8(17) 5_665 .
N19 Fe10 O11 C1A 47.5(18) . .
N19 Fe10 O11 C1A -132.5(18) 5_665 .
N1B Fe10 O11 C1A -1(3) 5_665 .
N1B Fe10 O11 C1A 179(3) . .
O1E Fe10 O11 C1A 86.4(18) . .
O1E Fe10 O11 C1A -93.6(18) 5_665 .
O11 Fe10 O11 C1A -32(6) 5_665 .
N11 Fe10 O11 N21 -40.9(13) 5_665 .
N11 Fe10 O11 N21 139.1(13) . .
N21 Fe10 O11 N21 179.998(2) 5_665 .
N19 Fe10 O11 N21 47.3(13) . .
N19 Fe10 O11 N21 -132.7(13) 5_665 .
N1B Fe10 O11 N21 -1(2) 5_665 .
N1B Fe10 O11 N21 179(2) . .
O1E Fe10 O11 N21 86.2(14) . .
O1E Fe10 O11 N21 -93.8(14) 5_665 .
O11 Fe10 O11 N21 -32(5) 5_665 .
C8 C2 O1E N19 -43(18) . .
C22 C2 O1E N19 177.6(18) . .
N19 C2 O1E C22 -177.6(18) . .
C8 C2 O1E C22 139(17) . .
N19 C2 O1E C33 -175(3) . .
C8 C2 O1E C33 141(16) . .
C22 C2 O1E C33 2.1(17) . .
N19 C2 O1E N11 -157(12) . .
C8 C2 O1E N11 160(12) . .
C22 C2 O1E N11 21(11) . .
N19 C2 O1E Fe10 -1.9(18) . .
C8 C2 O1E Fe10 -45(19) . .
C22 C2 O1E Fe10 176(3) . .
C34 N19 O1E C2 13(5) . .
Fe10 N19 O1E C2 -178.4(15) . .
C2 N19 O1E C22 3(2) . .
C34 N19 O1E C22 15(7) . .
Fe10 N19 O1E C22 -176(3) . .
C2 N19 O1E C33 145(21) . .
C34 N19 O1E C33 157(18) . .
Fe10 N19 O1E C33 -34(20) . .
C2 N19 O1E N11 174(3) . .
C34 N19 O1E N11 -174(3) . .
Fe10 N19 O1E N11 -4(2) . .
C2 N19 O1E Fe10 178.4(15) . .
C34 N19 O1E Fe10 -169(5) . .
C1V C22 O1E C2 13(10) . .
C33 C22 O1E C2 177.9(17) . .
C24 C22 O1E C2 -26(9) . .
C1V C22 O1E N19 10(11) . .
C2 C22 O1E N19 -3(2) . .
C33 C22 O1E N19 175(3) . .
C24 C22 O1E N19 -29(10) . .
C1V C22 O1E C33 -165(9) . .
C2 C22 O1E C33 -177.9(17) . .
C24 C22 O1E C33 156(8) . .
C1V C22 O1E N11 -163(9) . .
C2 C22 O1E N11 -176(2) . .
C33 C22 O1E N11 2.2(16) . .
C24 C22 O1E N11 159(8) . .
C1V C22 O1E Fe10 -156(7) . .
C2 C22 O1E Fe10 -169(7) . .
C33 C22 O1E Fe10 9(6) . .
C24 C22 O1E Fe10 165(6) . .
N11 C33 O1E C2 175(3) . .
C23 C33 O1E C2 -41(12) . .
C22 C33 O1E C2 -2.3(19) . .
N11 C33 O1E N19 32(20) . .
C23 C33 O1E N19 177(100) . .
C22 C33 O1E N19 -145(21) . .
N11 C33 O1E C22 177(2) . .
C23 C33 O1E C22 -38(10) . .
C23 C33 O1E N11 145(11) . .
C22 C33 O1E N11 -177(2) . .
N11 C33 O1E Fe10 0(2) . .
C23 C33 O1E Fe10 145(10) . .
C22 C33 O1E Fe10 -177.2(19) . .
C20 N11 O1E C2 -49(15) . .
C33 N11 O1E C2 -22(11) . .
N21 N11 O1E C2 -151(11) 5_665 .
Fe10 N11 O1E C2 158(11) . .
C20 N11 O1E N19 157(6) . .
C33 N11 O1E N19 -176(3) . .
N21 N11 O1E N19 55(3) 5_665 .
Fe10 N11 O1E N19 5(2) . .
C20 N11 O1E C22 -30(7) . .
C33 N11 O1E C22 -2.6(19) . .
N21 N11 O1E C22 -131.6(18) 5_665 .
Fe10 N11 O1E C22 177.7(18) . .
C20 N11 O1E C33 -27(6) . .
N21 N11 O1E C33 -129(2) 5_665 .
Fe10 N11 O1E C33 -180(2) . .
C20 N11 O1E Fe10 153(7) . .
C33 N11 O1E Fe10 180(2) . .
N21 N11 O1E Fe10 50.7(12) 5_665 .
N11 Fe10 O1E C2 6(3) 5_665 .
N11 Fe10 O1E C2 -174(3) . .
N21 Fe10 O1E C2 -39(3) . .
N21 Fe10 O1E C2 141(3) 5_665 .
N19 Fe10 O1E C2 1.8(18) . .
N19 Fe10 O1E C2 -178.2(18) 5_665 .
N1B Fe10 O1E C2 50(3) 5_665 .
N1B Fe10 O1E C2 -130(3) . .
O1E Fe10 O1E C2 -126(6) 5_665 .
O11 Fe10 O1E C2 -89(3) . .
O11 Fe10 O1E C2 91(3) 5_665 .
N11 Fe10 O1E N19 4(2) 5_665 .
N11 Fe10 O1E N19 -176(2) . .
N21 Fe10 O1E N19 -40.7(14) . .
N21 Fe10 O1E N19 139.3(14) 5_665 .
N19 Fe10 O1E N19 180.002(3) 5_665 .
N1B Fe10 O1E N19 48.3(14) 5_665 .
N1B Fe10 O1E N19 -131.7(14) . .
O1E Fe10 O1E N19 -128(6) 5_665 .
O11 Fe10 O1E N19 -91.0(14) . .
O11 Fe10 O1E N19 89.0(14) 5_665 .
N11 Fe10 O1E C22 172(6) 5_665 .
N11 Fe10 O1E C22 -8(6) . .
N21 Fe10 O1E C22 128(6) . .
N21 Fe10 O1E C22 -52(6) 5_665 .
N19 Fe10 O1E C22 168(7) . .
N19 Fe10 O1E C22 -12(7) 5_665 .
N1B Fe10 O1E C22 -143(6) 5_665 .
N1B Fe10 O1E C22 37(6) . .
O1E Fe10 O1E C22 40(8) 5_665 .
O11 Fe10 O1E C22 77(6) . .
O11 Fe10 O1E C22 -103(6) 5_665 .
N11 Fe10 O1E C33 -179.8(16) 5_665 .
N11 Fe10 O1E C33 0.2(16) . .
N21 Fe10 O1E C33 135.5(17) . .
N21 Fe10 O1E C33 -44.5(17) 5_665 .
N19 Fe10 O1E C33 176(3) . .
N19 Fe10 O1E C33 -4(3) 5_665 .
N1B Fe10 O1E C33 -135.5(17) 5_665 .
N1B Fe10 O1E C33 44.5(17) . .
O1E Fe10 O1E C33 48(6) 5_665 .
O11 Fe10 O1E C33 85.2(17) . .
O11 Fe10 O1E C33 -94.8(17) 5_665 .
N11 Fe10 O1E N11 179.995(2) 5_665 .
N21 Fe10 O1E N11 135.3(12) . .
N21 Fe10 O1E N11 -44.7(12) 5_665 .
N19 Fe10 O1E N11 176(2) . .
N19 Fe10 O1E N11 -4(2) 5_665 .
N1B Fe10 O1E N11 -135.7(12) 5_665 .
N1B Fe10 O1E N11 44.3(12) . .
O1E Fe10 O1E N11 48(6) 5_665 .
O11 Fe10 O1E N11 85.0(12) . .
O11 Fe10 O1E N11 -95.0(12) 5_665 .
C25 O11 C1A N21 174(3) . .
C1B O11 C1A N21 174(2) . .
N1B O11 C1A N21 11(25) . .
Fe10 O11 C1A N21 0(2) . .
C25 O11 C1A C17 -25(20) . .
C1B O11 C1A C17 -25(19) . .
N1B O11 C1A C17 172(20) . .
N21 O11 C1A C17 161(20) . .
Fe10 O11 C1A C17 161(18) . .
C25 O11 C1A C1B 0(2) . .
N1B O11 C1A C1B -163(25) . .
N21 O11 C1A C1B -174(2) . .
Fe10 O11 C1A C1B -174(2) . .
C1B O11 C25 N1B -178.2(16) . .
C1A O11 C25 N1B -178(3) . .
N21 O11 C25 N1B -143(19) . .
Fe10 O11 C25 N1B -4.9(15) . .
C1B O11 C25 C1C 93(23) . .
N1B O11 C25 C1C -88(23) . .
C1A O11 C25 C1C 94(23) . .
N21 O11 C25 C1C 129(22) . .
Fe10 O11 C25 C1C -93(23) . .
N1B O11 C25 C1B 178.2(16) . .
C1A O11 C25 C1B 0.2(19) . .
N21 O11 C25 C1B 35(17) . .
Fe10 O11 C25 C1B 173(3) . .
O11 C25 N1B C49 -173(3) . .
C1C C25 N1B C49 0(3) . .
C1B C25 N1B C49 -175(2) . .
C1C C25 N1B O11 173(3) . .
C1B C25 N1B O11 -1.8(16) . .
O11 C25 N1B Fe10 5.4(17) . .
C1C C25 N1B Fe10 179(2) . .
C1B C25 N1B Fe10 3.7(17) . .
C1B O11 N1B C25 2.1(19) . .
C1A O11 N1B C25 164(25) . .
N21 O11 N1B C25 174(3) . .
Fe10 O11 N1B C25 175.6(14) . .
C25 O11 N1B C49 17(7) . .
C1B O11 N1B C49 19(9) . .
C1A O11 N1B C49 -179(100) . .
N21 O11 N1B C49 -169(6) . .
Fe10 O11 N1B C49 -168(7) . .
C25 O11 N1B Fe10 -175.6(14) . .
C1B O11 N1B Fe10 -173(3) . .
C1A O11 N1B Fe10 -12(25) . .
N21 O11 N1B Fe10 -2(2) . .
N11 Fe10 N1B C25 -53(2) 5_665 .
N11 Fe10 N1B C25 127(2) . .
N21 Fe10 N1B C25 -4(2) . .
N21 Fe10 N1B C25 176(2) 5_665 .
N19 Fe10 N1B C25 53(2) . .
N19 Fe10 N1B C25 -127(2) 5_665 .
N1B Fe10 N1B C25 -107(17) 5_665 .
O1E Fe10 N1B C25 85.4(18) . .
O1E Fe10 N1B C25 -94.6(18) 5_665 .
O11 Fe10 N1B C25 -4.7(15) . .
O11 Fe10 N1B C25 175.3(15) 5_665 .
N11 Fe10 N1B C49 125(3) 5_665 .
N11 Fe10 N1B C49 -55(3) . .
N21 Fe10 N1B C49 175(3) . .
N21 Fe10 N1B C49 -5(3) 5_665 .
N19 Fe10 N1B C49 -128(3) . .
N19 Fe10 N1B C49 52(3) 5_665 .
N1B Fe10 N1B C49 71(18) 5_665 .
O1E Fe10 N1B C49 -96(3) . .
O1E Fe10 N1B C49 84(3) 5_665 .
O11 Fe10 N1B C49 173(4) . .
O11 Fe10 N1B C49 -7(4) 5_665 .
N11 Fe10 N1B O11 -48.6(18) 5_665 .
N11 Fe10 N1B O11 131.4(18) . .
N21 Fe10 N1B O11 1.1(17) . .
N21 Fe10 N1B O11 -178.9(17) 5_665 .
N19 Fe10 N1B O11 58.1(18) . .
N19 Fe10 N1B O11 -121.9(18) 5_665 .
N1B Fe10 N1B O11 -103(17) 5_665 .
O1E Fe10 N1B O11 90.1(16) . .
O1E Fe10 N1B O11 -89.9(16) 5_665 .
O11 Fe10 N1B O11 180.002(2) 5_665 .
N21 C1A C17 C29 -1(4) . .
C1B C1A C17 C29 177(2) . .
O11 C1A C17 C29 -161(18) . .
C17 C1A N21 C37 -1(4) . .
C1B C1A N21 C37 -179(2) . .
O11 C1A N21 C37 176(2) . .
C17 C1A N21 O11 -177(3) . .
C1B C1A N21 O11 5(2) . .
C17 C1A N21 N11 -88(3) . 5_665
C1B C1A N21 N11 95(3) . 5_665
O11 C1A N21 N11 89(2) . 5_665
C17 C1A N21 Fe10 -177(2) . .
C1B C1A N21 Fe10 6(4) . .
O11 C1A N21 Fe10 0(3) . .
C25 O11 N21 C37 -50(21) . .
C1B O11 N21 C37 -16(8) . .
N1B O11 N21 C37 171(6) . .
C1A O11 N21 C37 -11(7) . .
Fe10 O11 N21 C37 169(7) . .
C25 O11 N21 C1A -39(18) . .
C1B O11 N21 C1A -5(2) . .
N1B O11 N21 C1A -179(3) . .
Fe10 O11 N21 C1A 180(2) . .
C25 O11 N21 N11 -172(17) . 5_665
C1B O11 N21 N11 -137.9(19) . 5_665
N1B O11 N21 N11 49(3) . 5_665
C1A O11 N21 N11 -133(3) . 5_665
Fe10 O11 N21 N11 47.1(13) . 5_665
C25 O11 N21 Fe10 141(18) . .
C1B O11 N21 Fe10 175(2) . .
N1B O11 N21 Fe10 2(3) . .
C1A O11 N21 Fe10 -180(2) . .
N11 Fe10 N21 C37 -46(3) 5_665 .
N11 Fe10 N21 C37 134(3) . .
N21 Fe10 N21 C37 39(12) 5_665 .
N19 Fe10 N21 C37 63(3) . .
N19 Fe10 N21 C37 -117(3) 5_665 .
N1B Fe10 N21 C37 5(3) 5_665 .
N1B Fe10 N21 C37 -175(3) . .
O1E Fe10 N21 C37 91(3) . .
O1E Fe10 N21 C37 -89(3) 5_665 .
O11 Fe10 N21 C37 -175(4) . .
O11 Fe10 N21 C37 5(4) 5_665 .
N11 Fe10 N21 C1A 128(3) 5_665 .
N11 Fe10 N21 C1A -52(3) . .
N21 Fe10 N21 C1A -147(12) 5_665 .
N19 Fe10 N21 C1A -123(3) . .
N19 Fe10 N21 C1A 57(3) 5_665 .
N1B Fe10 N21 C1A 179(3) 5_665 .
N1B Fe10 N21 C1A -1(3) . .
O1E Fe10 N21 C1A -95(3) . .
O1E Fe10 N21 C1A 85(3) 5_665 .
O11 Fe10 N21 C1A 0(3) . .
O11 Fe10 N21 C1A 180(3) 5_665 .
N11 Fe10 N21 O11 128.0(16) 5_665 .
N11 Fe10 N21 O11 -52.0(16) . .
N21 Fe10 N21 O11 -147(10) 5_665 .
N19 Fe10 N21 O11 -122.7(15) . .
N19 Fe10 N21 O11 57.3(15) 5_665 .
N1B Fe10 N21 O11 179.0(15) 5_665 .
N1B Fe10 N21 O11 -1.0(15) . .
O1E Fe10 N21 O11 -94.7(13) . .
O1E Fe10 N21 O11 85.3(13) 5_665 .
O11 Fe10 N21 O11 179.998(2) 5_665 .
N11 Fe10 N21 N11 180.0 . 5_665
N21 Fe10 N21 N11 85(9) 5_665 5_665
N19 Fe10 N21 N11 109.3(11) . 5_665
N19 Fe10 N21 N11 -70.7(11) 5_665 5_665
N1B Fe10 N21 N11 51.0(12) 5_665 5_665
N1B Fe10 N21 N11 -129.0(12) . 5_665
O1E Fe10 N21 N11 137.3(12) . 5_665
O1E Fe10 N21 N11 -42.7(12) 5_665 5_665
O11 Fe10 N21 N11 -128.0(16) . 5_665
O11 Fe10 N21 N11 52.0(16) 5_665 5_665
C1A C17 C29 C37 2(4) . .
C1A N21 C37 C29 2(4) . .
O11 N21 C37 C29 12(9) . .
N11 N21 C37 C29 138(3) 5_665 .
Fe10 N21 C37 C29 178(2) . .
C1A N21 C37 C1 171(3) . .
O11 N21 C37 C1 -179(6) . .
N11 N21 C37 C1 -53(3) 5_665 .
Fe10 N21 C37 C1 -13(4) . .
C1A N21 C37 C20 -136(2) . 5_665
O11 N21 C37 C20 -126(6) . 5_665
N11 N21 C37 C20 0.0(19) 5_665 5_665
Fe10 N21 C37 C20 40(3) . 5_665
C1A N21 C37 C34 133(2) . .
O11 N21 C37 C34 142(7) . .
N11 N21 C37 C34 -91.7(14) 5_665 .
Fe10 N21 C37 C34 -52(3) . .
C17 C29 C37 N21 -3(4) . .
C17 C29 C37 C1 -171(3) . .
C17 C29 C37 C20 121(3) . 5_665
C17 C29 C37 C34 -112(3) . .
C20 C1 C37 N21 77(3) 5_665 .
C49 C1 C37 N21 14(4) 5_665 .
C34 C1 C37 N21 -57(3) . .
C6 C1 C37 N21 -169(2) . .
C20 C1 C37 C29 -115(3) 5_665 .
C49 C1 C37 C29 -177(3) 5_665 .
C34 C1 C37 C29 112(3) . .
C6 C1 C37 C29 -1(4) . .
C49 C1 C37 C20 -63(3) 5_665 5_665
C34 C1 C37 C20 -133.7(16) . 5_665
C6 C1 C37 C20 113.6(18) . 5_665
C20 C1 C37 C34 133.7(16) 5_665 .
C49 C1 C37 C34 71(3) 5_665 .
C6 C1 C37 C34 -112.8(17) . .
N19 C34 C37 N21 2.2(18) . .
C32 C34 C37 N21 -124(2) . .
C1 C34 C37 N21 133(2) . .
C49 C34 C37 N21 96.9(17) 5_665 .
N19 C34 C37 C29 125(2) . .
C32 C34 C37 C29 -1(3) . .
C1 C34 C37 C29 -104(3) . .
C49 C34 C37 C29 -140(2) 5_665 .
N19 C34 C37 C1 -130.6(16) . .
C32 C34 C37 C1 103(2) . .
C49 C34 C37 C1 -36.0(12) 5_665 .
N19 C34 C37 C20 -94.4(14) . 5_665
C32 C34 C37 C20 139.6(19) . 5_665
C1 C34 C37 C20 36.3(12) . 5_665
C49 C34 C37 C20 0.3(13) 5_665 5_665
C25 O11 C1B C1A 179.8(18) . .
N1B O11 C1B C1A 178(3) . .
N21 O11 C1B C1A 4.6(17) . .
Fe10 O11 C1B C1A 22(7) . .
N1B O11 C1B C25 -1.9(17) . .
C1A O11 C1B C25 -179.8(18) . .
N21 O11 C1B C25 -175(2) . .
Fe10 O11 C1B C25 -157(8) . .
C25 O11 C1B C1F -39(16) . .
N1B O11 C1B C1F -41(17) . .
C1A O11 C1B C1F 141(15) . .
N21 O11 C1B C1F 146(15) . .
Fe10 O11 C1B C1F 164(12) . .
C25 O11 C1B C1L 40(9) . .
N1B O11 C1B C1L 39(10) . .
C1A O11 C1B C1L -139(8) . .
N21 O11 C1B C1L -135(8) . .
Fe10 O11 C1B C1L -117(9) . .
N21 C1A C1B O11 -7(2) . .
C17 C1A C1B O11 176(3) . .
N21 C1A C1B C25 -6(3) . .
C17 C1A C1B C25 176(2) . .
O11 C1A C1B C25 0.2(18) . .
N21 C1A C1B C1F 180(3) . .
C17 C1A C1B C1F 2(3) . .
O11 C1A C1B C1F -174(2) . .
N21 C1A C1B C1L 162(3) . .
C17 C1A C1B C1L -15(3) . .
O11 C1A C1B C1L 169(3) . .
N1B C25 C1B O11 1.9(17) . .
C1C C25 C1B O11 -173(3) . .
O11 C25 C1B C1A 0(2) . .
N1B C25 C1B C1A 1.6(15) . .
C1C C25 C1B C1A -173(2) . .
O11 C25 C1B C1F 174(3) . .
N1B C25 C1B C1F 176(2) . .
C1C C25 C1B C1F 1(3) . .
O11 C25 C1B C1L -170(3) . .
N1B C25 C1B C1L -168(2) . .
C1C C25 C1B C1L 18(3) . .
O99 Zn9 O1F S4 50(2) 8_565 .
O99 Zn9 O1F S4 -9.6(18) . .
O18 Zn9 O1F S4 134.1(9) 8_565 .
O18 Zn9 O1F S4 -93.6(10) . .
O9 Zn9 O1F S4 20.2(9) . .
O1P Zn9 O1F S4 -159.8(9) . .
O99 Zn9 O1F S4 9.6(18) 8_565 8_565
O99 Zn9 O1F S4 -50(2) . 8_565
O18 Zn9 O1F S4 93.6(10) 8_565 8_565
O18 Zn9 O1F S4 -134.1(9) . 8_565
O9 Zn9 O1F S4 -20.2(9) . 8_565
O1P Zn9 O1F S4 159.8(9) . 8_565
O99 Zn9 O1F O1P -150.2(18) 8_565 .
O99 Zn9 O1F O1P 150.2(18) . .
O18 Zn9 O1F O1P -66.2(3) 8_565 .
O18 Zn9 O1F O1P 66.2(3) . .
O9 Zn9 O1F O1P 180.000(2) . .
O11 C25 C1C C1D 86(23) . .
N1B C25 C1C C1D 0.6(18) . .
C1B C25 C1C C1D 175.4(16) . .
C25 N1B C49 C1D -1(3) . .
O11 N1B C49 C1D -15(8) . .
Fe10 N1B C49 C1D -179(2) . .
C25 N1B C49 C1 -176(3) . 5_665
O11 N1B C49 C1 170(6) . 5_665
Fe10 N1B C49 C1 5(5) . 5_665
C25 N1B C49 C34 136.9(17) . 5_665
O11 N1B C49 C34 123(7) . 5_665
Fe10 N1B C49 C34 -42(3) . 5_665
C25 N1B C49 C20 -139.4(17) . .
O11 N1B C49 C20 -154(6) . .
Fe10 N1B C49 C20 42(3) . .
N11 C20 C49 N1B 5(2) . .
C1 C20 C49 N1B -134(3) 5_665 .
C3 C20 C49 N1B 119(2) . .
C37 C20 C49 N1B -94(2) 5_665 .
N11 C20 C49 C1D -119(3) . .
C1 C20 C49 C1D 102(3) 5_665 .
C3 C20 C49 C1D -5(4) . .
C37 C20 C49 C1D 142(3) 5_665 .
N11 C20 C49 C1 138(2) . 5_665
C3 C20 C49 C1 -108(2) . 5_665
C37 C20 C49 C1 39.3(15) 5_665 5_665
N11 C20 C49 C34 98.7(16) . 5_665
C1 C20 C49 C34 -39.6(12) 5_665 5_665
C3 C20 C49 C34 -147.4(19) . 5_665
C37 C20 C49 C34 -0.3(14) 5_665 5_665
C25 C1C C1D C49 -0.9(19) . .
N1B C49 C1D C1C 1(3) . .
C1 C49 C1D C1C 176(3) 5_665 .
C34 C49 C1D C1C -116(3) 5_665 .
C20 C49 C1D C1C 118(3) . .
O1P O1F S4 S4 125(2) . 8_565
Zn9 O1F S4 S4 -101.0(9) . 8_565
S4 O1F S4 O1T 94(6) 8_565 8_565
O1P O1F S4 O1T -141(6) . 8_565
Zn9 O1F S4 O1T -7(7) . 8_565
S4 O1F S4 O1T 23(2) 8_565 .
O1P O1F S4 O1T 148(3) . .
Zn9 O1F S4 O1T -78(2) . .
S4 O1F S4 C26 138.3(16) 8_565 .
O1P O1F S4 C26 -96(3) . .
Zn9 O1F S4 C26 37.3(19) . .
O11 C1B C1F C1E -53(16) . .
C1A C1B C1F C1E 86(2) . .
C25 C1B C1F C1E -88(2) . .
C1L C1B C1F C1E -165(8) . .
O11 C1B C1F C1H 139(15) . .
C1A C1B C1F C1H -82(2) . .
C25 C1B C1F C1H 103.0(18) . .
C1L C1B C1F C1H 26(7) . .
C1H C1F C1E C46 0.0 . .
C1B C1F C1E C46 -169(2) . .
C1F C1E C46 C26 0.0 . .
C1E C46 C26 O1T -165(2) . 8_565
C1E C46 C26 C1G 0.0 . .
C1E C46 C26 S4 179.4(7) . .
S4 S4 C26 O1T -59(5) 8_565 8_565
O1T S4 C26 O1T -33(4) . 8_565
O1F S4 C26 O1T -147(5) . 8_565
S4 S4 C26 C1G 151.5(17) 8_565 .
O1T S4 C26 C1G -150(5) 8_565 .
O1T S4 C26 C1G 177(3) . .
O1F S4 C26 C1G 63.7(18) . .
S4 S4 C26 C46 -28.0(18) 8_565 .
O1T S4 C26 C46 31(5) 8_565 .
O1T S4 C26 C46 -2(3) . .
O1F S4 C26 C46 -115.7(18) . .
O1T C26 C1G C1H 152(4) 8_565 .
C46 C26 C1G C1H 0.0 . .
S4 C26 C1G C1H -179.4(7) . .
C26 C1G C1H C1F 0.0 . .
C1E C1F C1H C1G 0.0 . .
C1B C1F C1H C1G 169(2) . .
O1I S2 O1G O1G -8(4) . 8_565
O1H S2 O1G O1G 122(3) . 8_565
C65 S2 O1G O1G -119(3) . 8_565
O1G S2 O1I O3 124(6) . .
O1H S2 O1I O3 -4(7) . .
C65 S2 O1I O3 -120(7) . .
O11 C1B C1L C1I -153(8) . .
C1A C1B C1L C1I 72(2) . .
C25 C1B C1L C1I -117.7(19) . .
C1F C1B C1L C1I -7(7) . .
O11 C1B C1L C1K 32(9) . .
C1A C1B C1L C1K -103(2) . .
C25 C1B C1L C1K 67(2) . .
C1F C1B C1L C1K 178(8) . .
C1K C1L C1I C86 0.0 . .
C1B C1L C1I C86 -175(2) . .
C1L C1I C86 C65 0.0 . .
C1L C1I C86 O1T -163(4) . 8_565
C1I C86 C65 C1J 0.0 . .
O1T C86 C65 C1J 168(2) 8_565 .
C1I C86 C65 S2 179.6(7) . .
O1T C86 C65 S2 -12(2) 8_565 .
O1G S2 C65 C86 15.5(19) . .
O1I S2 C65 C86 -103(2) . .
O1H S2 C65 C86 137(2) . .
O1G S2 C65 C1J -164.9(19) . .
O1I S2 C65 C1J 77(2) . .
O1H S2 C65 C1J -43(2) . .
C86 C65 C1J C1K 0.0 . .
S2 C65 C1J C1K -179.6(7) . .
C65 C1J C1K C1L 0.0 . .
C1I C1L C1K C1J 0.0 . .
C1B C1L C1K C1J 175(2) . .
Zn2 O2 C1N N20 -115.7(15) . .
Zn2 O2 C1N C1M 64(2) . .
O2 C1N N20 C1O -180.0(7) . .
C1M C1N N20 C1O 0.3(9) . .
O2 C1N N20 C1P -0.1(11) . .
C1M C1N N20 C1P -179.8(5) . .
O8 Zn8 O1M O1J -0.003(8) . 2_665
Zn1N Zn8 O1M O1J 179.996(8) 2_665 2_665
O25 Zn8 O1M O1J -115.8(2) 8_575 2_665
O25 Zn8 O1M O1J 115.8(2) . 2_665
O39 Zn8 O1M O1J 179.98(3) 2_665 2_665
O8 Zn8 O1M C1R 127(3) . 8_575
Zn1N Zn8 O1M C1R -53(3) 2_665 8_575
O25 Zn8 O1M C1R 11(3) 8_575 8_575
O25 Zn8 O1M C1R -117(3) . 8_575
O1J Zn8 O1M C1R 127(3) 2_665 8_575
O39 Zn8 O1M C1R -53(3) 2_665 8_575
O8 Zn8 O1M C1R -127(3) . .
Zn1N Zn8 O1M C1R 53(3) 2_665 .
O25 Zn8 O1M C1R 117(3) 8_575 .
O25 Zn8 O1M C1R -11(3) . .
O1J Zn8 O1M C1R -127(3) 2_665 .
O39 Zn8 O1M C1R 53(3) 2_665 .
N1L C1Q N7 C1R -121(2) . .
N1L C1Q N7 C21 60.1(19) . .
C1R N7 C21 C1W 126(4) . .
C1Q N7 C21 C1W -55(4) . .
N1L N7 C21 C1W -8(3) . .
O1J O1M C1R N7 22(12) 2_665 .
C1R O1M C1R N7 -117(2) 8_575 .
Zn8 O1M C1R N7 111(3) . .
O1J O1M C1R C1R 139(12) 2_665 8_575
Zn8 O1M C1R C1R -132(4) . 8_575
O1J O1M C1R C1S -160(11) 2_665 .
C1R O1M C1R C1S 60(3) 8_575 .
Zn8 O1M C1R C1S -72(3) . .
C1R O1M C1R O1J -139(12) 8_575 2_665
Zn8 O1M C1R O1J 88(10) . 2_665
O1J O1M C1R C1S 175(11) 2_665 8_575
C1R O1M C1R C1S 36(2) 8_575 8_575
Zn8 O1M C1R C1S -96(3) . 8_575
C21 N7 C1R O1M -1(3) . .
C1Q N7 C1R O1M -180(3) . .
N1L N7 C1R O1M 105(3) . .
C21 N7 C1R C1R -74(2) . 8_575
C1Q N7 C1R C1R 107(2) . 8_575
N1L N7 C1R C1R 32(4) . 8_575
C21 N7 C1R C1S -179(2) . .
C1Q N7 C1R C1S 2(3) . .
N1L N7 C1R C1S -73(3) . .
C21 N7 C1R O1J 5(3) . 2_665
C1Q N7 C1R O1J -174(3) . 2_665
N1L N7 C1R O1J 111(3) . 2_665
C21 N7 C1R C1S -142(3) . 8_575
C1Q N7 C1R C1S 39(3) . 8_575
N1L N7 C1R C1S -37(4) . 8_575
O1M C1R C1S C1S -45(2) . 8_575
N7 C1R C1S C1S 132.9(16) . 8_575
C1R C1R C1S C1S -0.002(7) 8_575 8_575
O1J C1R C1S C1S -52(3) 2_665 8_575
O1M C1R C1S C1R -45(2) . 8_575
N7 C1R C1S C1R 132.9(16) . 8_575
O1J C1R C1S C1R -52(3) 2_665 8_575
C1S C1R C1S C1R 0.002(18) 8_575 8_575
S4 O1F O1P O107 -39(2) . .
S4 O1F O1P O107 39(2) 8_565 .
Zn9 O1F O1P O107 180.00(4) . .
S4 O1F O1P Zn9 141(2) . .
S4 O1F O1P Zn9 -141(2) 8_565 .
O99 Zn9 O1P O107 -166.4(7) 8_565 .
O99 Zn9 O1P O107 166.4(7) . .
O18 Zn9 O1P O107 -66.5(3) 8_565 .
O18 Zn9 O1P O107 66.5(3) . .
O9 Zn9 O1P O107 180.000(5) . .
O1F Zn9 O1P O107 180.000(4) . .
O99 Zn9 O1P O1F 13.6(7) 8_565 .
O99 Zn9 O1P O1F -13.6(7) . .
O18 Zn9 O1P O1F 113.5(3) 8_565 .
O18 Zn9 O1P O1F -113.5(3) . .
O9 Zn9 O1P O1F 0.000(5) . .
O1T S4 O1T S4 179.991(8) 8_565 8_565
O1F S4 O1T S4 -37(3) . 8_565
C26 S4 O1T S4 -154(2) . 8_565
S4 S4 O1T O2F -116(5) 8_565 .
O1T S4 O1T O2F 64(5) 8_565 .
O1F S4 O1T O2F -153(3) . .
C26 S4 O1T O2F 90(3) . .
S4 S4 O1T C26 45(6) 8_565 8_565
O1T S4 O1T C26 -135(6) 8_565 8_565
O1F S4 O1T C26 8(8) . 8_565
C26 S4 O1T C26 -110(7) . 8_565
S4 S4 O1T O1T -179.991(13) 8_565 8_565
O1F S4 O1T O1T 143(3) . 8_565
C26 S4 O1T O1T 26(2) . 8_565
S4 S4 O1T O99 53(3) 8_565 8_565
O1T S4 O1T O99 -127(3) 8_565 8_565
O1F S4 O1T O99 15.8(17) . 8_565
C26 S4 O1T O99 -101.6(15) . 8_565
S4 S4 O1T C86 42(7) 8_565 8_565
O1T S4 O1T C86 -138(7) 8_565 8_565
O1F S4 O1T C86 5(9) . 8_565
C26 S4 O1T C86 -112(8) . 8_565
S6 O1C S1K O97 -169(3) . .
S6 O1C S1K O97 -148(3) 8_575 .
S1K O1C S1K O97 -103(3) 8_575 .
Zn4 O1C S1K O97 44(3) . .
S6 O1C S1K O1K -58(2) . .
S6 O1C S1K O1K -37(2) 8_575 .
S1K O1C S1K O1K 8(2) 8_575 .
Zn4 O1C S1K O1K 155(2) . .
S6 O1C S1K C90 84.4(14) . .
S6 O1C S1K C90 105.3(13) 8_575 .
S1K O1C S1K C90 150.2(11) 8_575 .
Zn4 O1C S1K C90 -62.9(17) . .
S6 O1C S1K S1K -65.7(12) . 8_575
S6 O1C S1K S1K -44.9(9) 8_575 8_575
Zn4 O1C S1K S1K 146.9(18) . 8_575
O1E C22 C1V C104 -117(9) . .
C2 C22 C1V C104 -105.7(19) . .
C33 C22 C1V C104 79(2) . .
C24 C22 C1V C104 -16(17) . .
O1E C22 C1V C1T 78(10) . .
C2 C22 C1V C1T 89(2) . .
C33 C22 C1V C1T -86(3) . .
C24 C22 C1V C1T 178(19) . .
C1T C1V C104 C68 0.0 . .
C22 C1V C104 C68 -166(3) . .
C1V C104 C68 C90 0.0 . .
C104 C68 C90 C1U 0.0 . .
C104 C68 C90 S1K 177.4(19) . .
O97 S1K C90 C1U 25(3) . .
O1K S1K C90 C1U -120(3) . .
O1C S1K C90 C1U 135.4(18) . .
S1K S1K C90 C1U 166.9(14) 8_575 .
O97 S1K C90 C68 -153(3) . .
O1K S1K C90 C68 63(3) . .
O1C S1K C90 C68 -41.9(18) . .
S1K S1K C90 C68 -10(2) 8_575 .
C68 C90 C1U C1T 0.0 . .
S1K C90 C1U C1T -177(2) . .
C90 C1U C1T C1V 0.0 . .
C104 C1V C1T C1U 0.0 . .
C22 C1V C1T C1U 165(3) . .
S6 S6 O67 O1K -26(4) 8_575 .
O98 S6 O67 O1K -126(4) 8_575 .
O1C S6 O67 O1K 66(4) . .
O98 S6 O67 O1K -81(4) . .
C14 S6 O67 O1K 169(3) . .
O67 S6 O67 O1K -26(4) 8_575 .
S6 S6 O67 O98 100(2) 8_575 8_575
O1C S6 O67 O98 -168(3) . 8_575
O98 S6 O67 O98 45(4) . 8_575
O1K S6 O67 O98 126(4) . 8_575
C14 S6 O67 O98 -66(3) . 8_575
O67 S6 O67 O98 100(2) 8_575 8_575
O98 S6 O67 S6 -100(2) 8_575 8_575
O1C S6 O67 S6 92(2) . 8_575
O98 S6 O67 S6 -55(3) . 8_575
O1K S6 O67 S6 26(4) . 8_575
C14 S6 O67 S6 -165.4(14) . 8_575
O67 S6 O67 S6 0.01(2) 8_575 8_575
S6 O67 O1K O67 72(5) . 8_575
O98 O67 O1K O67 41(6) 8_575 8_575
S6 O67 O1K O67 61(5) 8_575 8_575
S6 O67 O1K S6 11.2(15) . 8_575
O98 O67 O1K S6 -20(3) 8_575 8_575
O98 O67 O1K S6 -31(2) 8_575 .
S6 O67 O1K S6 -11.2(15) 8_575 .
S6 O67 O1K S1K -52.6(12) . .
O98 O67 O1K S1K -83(2) 8_575 .
S6 O67 O1K S1K -64(2) 8_575 .
S6 O67 O1K S1K -11(6) . 8_575
O98 O67 O1K S1K -42(7) 8_575 8_575
S6 O67 O1K S1K -22(5) 8_575 8_575
S6 S6 O1K O67 21(3) 8_575 8_575
O98 S6 O1K O67 -73(4) 8_575 8_575
O67 S6 O1K O67 -135(6) . 8_575
O1C S6 O1K O67 94(3) . 8_575
O98 S6 O1K O67 -25(4) . 8_575
C14 S6 O1K O67 -152(3) . 8_575
S6 S6 O1K O67 156(3) 8_575 .
O98 S6 O1K O67 62(5) 8_575 .
O1C S6 O1K O67 -131(3) . .
O98 S6 O1K O67 110(3) . .
C14 S6 O1K O67 -17(5) . .
O67 S6 O1K O67 135(6) 8_575 .
O98 S6 O1K S6 -95(3) 8_575 8_575
O67 S6 O1K S6 -156(3) . 8_575
O1C S6 O1K S6 72.1(9) . 8_575
O98 S6 O1K S6 -46(2) . 8_575
C14 S6 O1K S6 -174(2) . 8_575
O67 S6 O1K S6 -21(3) 8_575 8_575
S6 S6 O1K S1K -137.0(12) 8_575 .
O98 S6 O1K S1K 128(4) 8_575 .
O67 S6 O1K S1K 66(3) . .
O1C S6 O1K S1K -64.9(10) . .
O98 S6 O1K S1K 177(2) . .
C14 S6 O1K S1K 49(3) . .
O67 S6 O1K S1K -159(4) 8_575 .
S6 S6 O1K S1K -31.9(9) 8_575 8_575
O98 S6 O1K S1K -126(3) 8_575 8_575
O67 S6 O1K S1K 172(4) . 8_575
O1C S6 O1K S1K 40.3(15) . 8_575
O98 S6 O1K S1K -78(2) . 8_575
C14 S6 O1K S1K 154.5(19) . 8_575
O67 S6 O1K S1K -53(3) 8_575 8_575
O97 S1K O1K O67 136(7) . 8_575
O1C S1K O1K O67 26(7) . 8_575
C90 S1K O1K O67 -80(7) . 8_575
S1K S1K O1K O67 34(5) 8_575 8_575
O97 S1K O1K O67 -105(4) . .
O1C S1K O1K O67 145(3) . .
C90 S1K O1K O67 39(4) . .
S1K S1K O1K O67 153(5) 8_575 .
O97 S1K O1K S6 147(3) . 8_575
O1C S1K O1K S6 37.1(16) . 8_575
C90 S1K O1K S6 -69(2) . 8_575
S1K S1K O1K S6 44.8(13) 8_575 8_575
O97 S1K O1K S6 168(3) . .
O1C S1K O1K S6 57.6(11) . .
C90 S1K O1K S6 -49(2) . .
S1K S1K O1K S6 65(2) 8_575 .
O97 S1K O1K S1K 102(3) . 8_575
O1C S1K O1K S1K -8(2) . 8_575
C90 S1K O1K S1K -114(2) . 8_575
O1K S1K O97 C1W -51(16) . .
O1C S1K O97 C1W 49(15) . .
C90 S1K O97 C1W 152(15) . .
S1K S1K O97 C1W -1(16) 8_575 .
S6 S6 O98 O98 180.003(8) 8_575 8_575
O67 S6 O98 O98 -69(3) . 8_575
O1C S6 O98 O98 141(3) . 8_575
O1K S6 O98 O98 -115(2) . 8_575
C14 S6 O98 O98 30.6(15) . 8_575
O67 S6 O98 O98 -131(2) 8_575 8_575
O98 S6 O98 S6 179.997(8) 8_575 8_575
O67 S6 O98 S6 111(3) . 8_575
O1C S6 O98 S6 -39(3) . 8_575
O1K S6 O98 S6 65(2) . 8_575
C14 S6 O98 S6 -149.4(15) . 8_575
O67 S6 O98 S6 48(2) 8_575 8_575
S6 S6 O98 C14 32(3) 8_575 8_575
O98 S6 O98 C14 -148(3) 8_575 8_575
O67 S6 O98 C14 143(4) . 8_575
O1C S6 O98 C14 -8(5) . 8_575
O1K S6 O98 C14 97(4) . 8_575
C14 S6 O98 C14 -118(4) . 8_575
O67 S6 O98 C14 80(4) 8_575 8_575
S6 S6 O98 O67 -48(2) 8_575 8_575
O98 S6 O98 O67 131(2) 8_575 8_575
O67 S6 O98 O67 62(4) . 8_575
O1C S6 O98 O67 -88(3) . 8_575
O1K S6 O98 O67 16(3) . 8_575
C14 S6 O98 O67 162.1(19) . 8_575
O18 Zn9 O99 O99 20.5(4) 8_565 8_565
O18 Zn9 O99 O99 162.2(4) . 8_565
O9 Zn9 O99 O99 -92.4(2) . 8_565
O1F Zn9 O99 O99 62.8(17) . 8_565
O1P Zn9 O99 O99 85.0(4) . 8_565
O99 Zn9 O99 O1T 87(4) 8_565 8_565
O18 Zn9 O99 O1T 107(4) 8_565 8_565
O18 Zn9 O99 O1T -111(4) . 8_565
O9 Zn9 O99 O1T -6(4) . 8_565
O1F Zn9 O99 O1T 150(5) . 8_565
O1P Zn9 O99 O1T 172(4) . 8_565
O1F O1P O107 O108 180.00(4) . .
Zn9 O1P O107 O108 0.000(6) . .
N7 C1Q N1L C105 125(2) . .
N7 C1Q N1L C1W -59(2) . .
C1R N7 N1L C105 7(5) . .
C21 N7 N1L C105 131(4) . .
C1Q N7 N1L C105 -105(4) . .
C1R N7 N1L C1Q 112(3) . .
C21 N7 N1L C1Q -124.6(19) . .
C1R N7 N1L C1W -117(3) . .
C21 N7 N1L C1W 7(3) . .
C1Q N7 N1L C1W 131(2) . .
O1 S1 O102 O10 70(8) . .
O5 S1 O102 O10 137.5(15) . .
C5 S1 O102 O10 -112.1(11) . .
O10 S1 O102 O5 -137.5(15) . .
O1 S1 O102 O5 -68(8) . .
C5 S1 O102 O5 110.4(9) . .
S1 O10 O102 O5 38.1(14) . .
Zn5 O5 O102 S1 -119(3) 5_666 .
S1 O5 O102 O10 -37.7(14) . .
Zn5 O5 O102 O10 -156.3(17) 5_666 .
C1Q N1L C105 O1D -176.0(19) . .
C1W N1L C105 O1D 8(3) . .
N7 N1L C105 O1D -103(3) . .
C1Q N1L C105 C105 -113(2) . 8_575
C1W N1L C105 C105 71(3) . 8_575
N7 N1L C105 C105 -41(4) . 8_575
C1Q N1L C105 C103 5(3) . .
C1W N1L C105 C103 -170(3) . .
N7 N1L C105 C103 78(4) . .
C1Q N1L C105 C103 -39(5) . 8_575
C1W N1L C105 C103 145(5) . 8_575
N7 N1L C105 C103 34(7) . 8_575
C105 O1D C105 N1L 126.2(16) 8_575 .
Zn4 O1D C105 N1L -117.6(19) . .
Zn4 O1D C105 C105 116(2) . 8_575
C105 O1D C105 C103 -55(3) 8_575 .
Zn4 O1D C105 C103 61(3) . .
C105 O1D C105 C103 -33(2) 8_575 8_575
Zn4 O1D C105 C103 84(2) . 8_575
C103 C103 C105 N1L -137(2) 8_575 .
C105 C103 C105 N1L -137(2) 8_575 .
C103 C103 C105 O1D 45(2) 8_575 .
C105 C103 C105 O1D 45(2) 8_575 .
C103 C103 C105 C105 -0.003(18) 8_575 8_575
C105 C103 C105 C103 0.00(2) 8_575 8_575
N7 C21 C1W O97 -172(6) . .
N7 C21 C1W N1L 9(4) . .
S1K O97 C1W C21 101(16) . .
S1K O97 C1W N1L -81(17) . .
C105 N1L C1W C21 -146(3) . .
C1Q N1L C1W C21 38(4) . .
N7 N1L C1W C21 -8(3) . .
C105 N1L C1W O97 35(7) . .
C1Q N1L C1W O97 -141(6) . .
N7 N1L C1W O97 174(7) . .
Zn7 O7 O106 O1O 96(6) . 8_565
Zn7 O7 O106 O1O -96(6) . .
O1L O1O O106 O7 164(8) . .
O1L O1O O106 O1O -25(6) . 8_565
O2D O21 O111 O1S -39(15) . .
O2H O21 O111 O1S 23(11) . .
O23 O1R O113 O113 166(14) . 8_565
O116 O1R O113 O113 -57(6) . 8_565
Zn3 O1R O113 O113 92(3) 2_665 8_565
O113 O1R O113 O116 57(6) 8_565 .
O23 O1R O113 O116 -137(13) . .
Zn3 O1R O113 O116 149(6) 2_665 .
O113 O1R O113 O23 -166(14) 8_565 .
O116 O1R O113 O23 137(13) . .
Zn3 O1R O113 O23 -74(12) 2_665 .
O113 O1R O113 Zn3 -92(3) 8_565 2_665
O23 O1R O113 Zn3 74(12) . 2_665
O116 O1R O113 Zn3 -149(6) . 2_665
O106 O1O O1L O1O 19(5) . 8_565
O1R O113 O116 O113 -53(6) . 8_565
O23 O113 O116 O113 -66(6) . 8_565
Zn3 O113 O116 O113 -6(15) 2_665 8_565
O113 O113 O116 O1R 53(6) 8_565 .
O23 O113 O116 O1R -13(3) . .
Zn3 O113 O116 O1R 48(11) 2_665 .
O1R O113 O116 O2A 175(15) . .
O113 O113 O116 O2A -132(18) 8_565 .
O23 O113 O116 O2A 162(14) . .
Zn3 O113 O116 O2A -137(10) 2_665 .
O113 O1R O116 O113 90(10) . 8_565
O23 O1R O116 O113 -135(5) . 8_565
Zn3 O1R O116 O113 45(5) 2_665 8_565
O113 O1R O116 O113 -90(10) 8_565 .
O23 O1R O116 O113 135(5) . .
Zn3 O1R O116 O113 -45(5) 2_665 .
O113 O1R O116 O2A -135(5) . .
O113 O1R O116 O2A 135(5) 8_565 .
O23 O1R O116 O2A 0.00(12) . .
Zn3 O1R O116 O2A 180.00(10) 2_665 .
O1V O1U O117 O1U -4(8) . 8_575
O1V O1U O117 O1U -2(4) 8_575 8_575
O21 O111 O1S O3 5(17) . .
O21 O111 O1S O1X 83(10) . .
O3 O1X O1S O111 -123(10) . .
O1Y Zn6 Zn1N Zn8 179.99(14) . 2_664
O37 Zn6 Zn1N Zn8 179.993(3) . 2_664
O28 Zn6 Zn1N Zn8 -61.5(2) 2_664 2_664
O28 Zn6 Zn1N Zn8 61.5(2) 7_755 2_664
O1Y Zn6 Zn1N O39 0.00(14) . .
O37 Zn6 Zn1N O39 0.0 . .
O28 Zn6 Zn1N O39 118.5(2) 2_664 .
O28 Zn6 Zn1N O39 -118.5(2) 7_755 .
O1Y Zn6 Zn1N O37 0.00(14) . .
O28 Zn6 Zn1N O37 118.5(2) 2_664 .
O28 Zn6 Zn1N O37 -118.5(2) 7_755 .
O1Y Zn6 Zn1N O28 -118.5(2) . 2_664
O37 Zn6 Zn1N O28 -118.5(2) . 2_664
O28 Zn6 Zn1N O28 123.1(5) 7_755 2_664
O1Y Zn6 Zn1N O28 118.5(3) . 7_755
O37 Zn6 Zn1N O28 118.5(2) . 7_755
O28 Zn6 Zn1N O28 -123.1(5) 2_664 7_755
O1Y Zn6 Zn1N O25 -113.1(5) . 2_664
O37 Zn6 Zn1N O25 -113.1(5) . 2_664
O28 Zn6 Zn1N O25 5.3(5) 2_664 2_664
O28 Zn6 Zn1N O25 128.4(6) 7_755 2_664
O1Y Zn6 Zn1N O25 113.1(6) . 7_755
O37 Zn6 Zn1N O25 113.1(5) . 7_755
O28 Zn6 Zn1N O25 -128.4(6) 2_664 7_755
O28 Zn6 Zn1N O25 -5.3(5) 7_755 7_755
O1Y Zn6 Zn1N C43 0.00(14) . .
O37 Zn6 Zn1N C43 0.0 . .
O28 Zn6 Zn1N C43 118.5(2) 2_664 .
O28 Zn6 Zn1N C43 -118.5(2) 7_755 .
O1Y Zn6 Zn1N C87 115.4(3) . 7_755
O37 Zn6 Zn1N C87 115.4(3) . 7_755
O28 Zn6 Zn1N C87 -126.2(4) 2_664 7_755
O28 Zn6 Zn1N C87 -3.1(3) 7_755 7_755
O1Y Zn6 Zn1N C87 -115.4(3) . 2_664
O37 Zn6 Zn1N C87 -115.4(3) . 2_664
O28 Zn6 Zn1N C87 3.1(3) 2_664 2_664
O28 Zn6 Zn1N C87 126.2(4) 7_755 2_664
C43 O39 Zn1N Zn6 0.0 . .
Zn8 O39 Zn1N Zn6 180.0 2_664 .
C43 O39 Zn1N Zn8 180.0 . 2_664
C43 O39 Zn1N O37 0.0 . .
Zn8 O39 Zn1N O37 180.0 2_664 .
C43 O39 Zn1N O28 77.5(6) . 2_664
Zn8 O39 Zn1N O28 -102.5(6) 2_664 2_664
C43 O39 Zn1N O28 -77.5(6) . 7_755
Zn8 O39 Zn1N O28 102.5(6) 2_664 7_755
C43 O39 Zn1N O25 128.8(2) . 2_664
Zn8 O39 Zn1N O25 -51.2(2) 2_664 2_664
C43 O39 Zn1N O25 -128.8(2) . 7_755
Zn8 O39 Zn1N O25 51.2(2) 2_664 7_755
Zn8 O39 Zn1N C43 180.0 2_664 .
C43 O39 Zn1N C87 -105.7(4) . 7_755
Zn8 O39 Zn1N C87 74.3(4) 2_664 7_755
C43 O39 Zn1N C87 105.7(4) . 2_664
Zn8 O39 Zn1N C87 -74.3(4) 2_664 2_664
C43 O37 Zn1N Zn6 180.0 . .
C43 O37 Zn1N Zn8 0.0 . 2_664
Zn6 O37 Zn1N Zn8 180.0 . 2_664
C43 O37 Zn1N O39 0.0 . .
Zn6 O37 Zn1N O39 180.0 . .
C43 O37 Zn1N O28 -129.7(2) . 2_664
Zn6 O37 Zn1N O28 50.3(2) . 2_664
C43 O37 Zn1N O28 129.7(2) . 7_755
Zn6 O37 Zn1N O28 -50.3(2) . 7_755
C43 O37 Zn1N O25 -69.0(4) . 2_664
Zn6 O37 Zn1N O25 111.0(4) . 2_664
C43 O37 Zn1N O25 69.0(4) . 7_755
Zn6 O37 Zn1N O25 -111.0(4) . 7_755
Zn6 O37 Zn1N C43 180.0 . .
C43 O37 Zn1N C87 102.6(4) . 7_755
Zn6 O37 Zn1N C87 -77.4(4) . 7_755
C43 O37 Zn1N C87 -102.6(4) . 2_664
Zn6 O37 Zn1N C87 77.4(4) . 2_664
O39 C43 Zn1N Zn6 180.0 . .
O37 C43 Zn1N Zn6 0.0 . .
C44 C43 Zn1N Zn6 0.000(4) . .
O39 C43 Zn1N Zn8 0.0 . 2_664
O37 C43 Zn1N Zn8 180.0 . 2_664
C44 C43 Zn1N Zn8 180.001(4) . 2_664
O37 C43 Zn1N O39 180.0 . .
C44 C43 Zn1N O39 180.000(4) . .
O39 C43 Zn1N O37 180.0 . .
C44 C43 Zn1N O37 0.000(4) . .
O39 C43 Zn1N O28 -121.5(4) . 2_664
O37 C43 Zn1N O28 58.5(4) . 2_664
C44 C43 Zn1N O28 58.5(4) . 2_664
O39 C43 Zn1N O28 121.5(4) . 7_755
O37 C43 Zn1N O28 -58.5(4) . 7_755
C44 C43 Zn1N O28 -58.5(4) . 7_755
O39 C43 Zn1N O25 -54.8(3) . 2_664
O37 C43 Zn1N O25 125.2(3) . 2_664
C44 C43 Zn1N O25 125.2(3) . 2_664
O39 C43 Zn1N O25 54.8(3) . 7_755
O37 C43 Zn1N O25 -125.2(3) . 7_755
C44 C43 Zn1N O25 -125.2(3) . 7_755
O39 C43 Zn1N C87 87.6(4) . 7_755
O37 C43 Zn1N C87 -92.4(4) . 7_755
C44 C43 Zn1N C87 -92.4(4) . 7_755
O39 C43 Zn1N C87 -87.6(4) . 2_664
O37 C43 Zn1N C87 92.4(4) . 2_664
C44 C43 Zn1N C87 92.4(4) . 2_664
O1U O1U O1V O1V 0.003(19) 8_575 8_575
O117 O1U O1V O1V 3(7) . 8_575
O1U O1U O1V O1Y 19(26) 8_575 5_665
O117 O1U O1V O1Y 22(30) . 5_665
O1V O1U O1V O1Y 19(26) 8_575 5_665
O1U O1U O1V O1N -75(3) 8_575 5_665
O117 O1U O1V O1N -72(7) . 5_665
O1V O1U O1V O1N -75(3) 8_575 5_665
O117 O1U O1V O1U 3(7) . 8_575
O1V O1U O1V O1U 0.00(2) 8_575 8_575
Zn1N Zn6 O1Y O1V 112(6) . 4_645
O37 Zn6 O1Y O1V 112(6) . 4_645
O28 Zn6 O1Y O1V -6(6) 2_664 4_645
O28 Zn6 O1Y O1V -130(6) 7_755 4_645
Zn1N Zn6 O1Y O1V -112(6) . 5_665
O37 Zn6 O1Y O1V -112(6) . 5_665
O28 Zn6 O1Y O1V 130(6) 2_664 5_665
O28 Zn6 O1Y O1V 6(6) 7_755 5_665
Zn1N Zn6 O1Y O1N 0.0(2) . .
O37 Zn6 O1Y O1N 0.000(3) . .
O28 Zn6 O1Y O1N -118.4(3) 2_664 .
O28 Zn6 O1Y O1N 118.4(3) 7_755 .
O111 O1S O3 O1X 86(10) . .
O111 O1S O3 O1I 24(37) . .
O1X O1S O3 O1I -63(29) . .
O1S O1X O3 O1I 160(12) . .
S2 O1I O3 O1S -76(32) . .
S2 O1I O3 O1X -134(6) . .
O1V O1Y O1N O1V -54(5) 5_665 4_645
Zn6 O1Y O1N O1V 153(2) . 4_645
O1V O1Y O1N O1V 54(5) 4_645 5_665
Zn6 O1Y O1N O1V -153(2) . 5_665
O113 O1R O23 O2B -78(12) . .
O113 O1R O23 O2B 78(12) 8_565 .
O116 O1R O23 O2B 180.000(6) . .
Zn3 O1R O23 O2B 0.001(7) 2_665 .
O113 O1R O23 O113 156(24) 8_565 .
O116 O1R O23 O113 -102(12) . .
Zn3 O1R O23 O113 78(12) 2_665 .
O113 O1R O23 O113 -156(24) . 8_565
O116 O1R O23 O113 102(12) . 8_565
Zn3 O1R O23 O113 -78(12) 2_665 8_565
O113 O1R O23 Zn3 -78(12) . 2_665
O113 O1R O23 Zn3 78(12) 8_565 2_665
O116 O1R O23 Zn3 179.999(8) . 2_665
O113 O113 O23 O1R -12(12) 8_565 .
O116 O113 O23 O1R 44(13) . .
Zn3 O113 O23 O1R -97(12) 2_665 .
O1R O113 O23 O2B 123(14) . .
O113 O113 O23 O2B 110(4) 8_565 .
O116 O113 O23 O2B 167(6) . .
Zn3 O113 O23 O2B 25(4) 2_665 .
O1R O113 O23 O113 12(12) . 8_565
O116 O113 O23 O113 57(5) . 8_565
Zn3 O113 O23 O113 -85.1(7) 2_665 8_565
O1R O113 O23 Zn3 97(12) . 2_665
O113 O113 O23 Zn3 85.1(7) 8_565 2_665
O116 O113 O23 Zn3 142(6) . 2_665
O113 O116 O2A O2G -112(13) 8_565 .
O113 O116 O2A O2G -14(21) . .
O1R O116 O2A O2G 117(10) . .
O113 O116 O2A O2G 14(21) 8_565 8_565
O113 O116 O2A O2G 112(13) . 8_565
O1R O116 O2A O2G -117(10) . 8_565
O113 O116 O2A O1Q -49(15) 8_565 6_656
O113 O116 O2A O1Q 49(15) . 6_656
O1R O116 O2A O1Q 180.00(10) . 6_656
Zn3 O112 O2B O112 91(5) 2_665 8_565
O112 O112 O2B O23 -154(13) 8_565 .
Zn3 O112 O2B O23 -63(9) 2_665 .
O112 O112 O2B Zn3 -91(5) 8_565 2_665
O1R O23 O2B O112 70(10) . .
O113 O23 O2B O112 46(12) . .
O113 O23 O2B O112 95(8) 8_565 .
Zn3 O23 O2B O112 70(10) 2_665 .
O1R O23 O2B O112 -70(10) . 8_565
O113 O23 O2B O112 -95(8) . 8_565
O113 O23 O2B O112 -46(12) 8_565 8_565
Zn3 O23 O2B O112 -70(10) 2_665 8_565
O1R O23 O2B Zn3 -0.001(8) . 2_665
O113 O23 O2B Zn3 -25(4) . 2_665
O113 O23 O2B Zn3 25(4) 8_565 2_665
O111 O21 O2D O2D -121(6) . 8_565
O2H O21 O2D O2D 156(10) . 8_565
O111 O21 O2D O2H 83(7) . .
S4 O1T O2F O1T -75(4) 8_565 8_565
C26 O1T O2F O1T -176(18) 8_565 8_565
S4 O1T O2F O1T -44(3) . 8_565
O99 O1T O2F O1T -54(6) 8_565 8_565
C86 O1T O2F O1T 167(12) 8_565 8_565
O2G O2A O2G O1Q 32(13) 8_565 6_656
O116 O2A O2G O1Q 152(14) . 6_656
O2D O2D O2H O21 -124(21) 8_565 .
O111 O21 O2H O2D -94(12) . .
