#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:23:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210152.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_7210152
loop_
_publ_author_name
'Zhou, Jian'
'Liu, Xing'
'Hu, Feilong'
'Chen, Rong'
'Zou, Huahong'
'Fu, Wensheng'
'Liang, Guoming'
'Chen, Yi'
_publ_section_title
;
 A novel 3-D chiral polyoxovanadate architecture based on breaking high
 symmetry of spherical [V15O36Cl]8− cluster
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              4593
_journal_paper_doi               10.1039/c3ce40280k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety
'C8 H32 Cl N8 O36 V15 Zn2, 2(C4 H18 N4 O Zn),2(H2 O)'
_chemical_formula_sum            'C16 H72 Cl N16 O40 V15 Zn4'
_chemical_formula_weight         2189.93
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.876(3)
_cell_length_b                   18.938(4)
_cell_length_c                   28.202(6)
_cell_measurement_temperature    296(2)
_cell_volume                     6877(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            44166
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    3.429
_exptl_absorpt_correction_T_max  0.7153
_exptl_absorpt_correction_T_min  0.6380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             4296
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.619
_refine_diff_density_min         -2.283
_refine_diff_density_rms         0.197
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.045(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_reflns         14255
_refine_ls_number_restraints     364
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0988P)²+19.2853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1528
_refine_ls_wR_factor_ref         0.1583
_reflns_number_gt                12845
_reflns_number_total             14255
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40280k.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               7210152
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
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
V1 V 0.79689(10) 0.62088(7) 0.37990(5) 0.0291(3) Uani 1 1 d .
V2 V 0.73616(10) 0.61161(6) 0.49539(5) 0.0299(3) Uani 1 1 d .
V3 V 0.41951(10) 0.51271(6) 0.33481(5) 0.0267(3) Uani 1 1 d .
V4 V 0.87207(8) 0.46211(6) 0.44519(4) 0.0193(2) Uani 1 1 d .
V5 V 0.74595(9) 0.33770(6) 0.36616(5) 0.0242(2) Uani 1 1 d .
V6 V 0.52790(10) 0.64801(6) 0.41182(5) 0.0259(3) Uani 1 1 d .
V7 V 0.73147(9) 0.46480(6) 0.52965(4) 0.0229(2) Uani 1 1 d .
V8 V 0.51428(10) 0.58146(6) 0.50912(5) 0.0268(3) Uani 1 1 d .
V9 V 0.36244(9) 0.50627(6) 0.45055(5) 0.0285(3) Uani 1 1 d .
V10 V 0.68442(9) 0.32898(6) 0.48107(4) 0.0223(2) Uani 1 1 d .
V11 V 0.83041(9) 0.47809(6) 0.34093(4) 0.0238(3) Uani 1 1 d .
V12 V 0.47371(9) 0.35017(6) 0.39708(4) 0.0206(2) Uani 1 1 d .
V13 V 0.61438(9) 0.59400(6) 0.31933(4) 0.0247(3) Uani 1 1 d .
V14 V 0.57967(9) 0.40594(6) 0.31001(4) 0.0231(2) Uani 1 1 d .
V15 V 0.48119(9) 0.39508(6) 0.49942(4) 0.0216(2) Uani 1 1 d .
Zn1 Zn 0.47058(10) 0.25607(7) 0.24373(4) 0.0522(3) Uani 1 1 d .
Zn2 Zn 0.59049(8) 0.16205(6) 0.52569(4) 0.0434(3) Uani 1 1 d .
Zn3 Zn 0.08120(18) 1.00339(13) 0.29574(12) 0.1159(8) Uani 1 1 d D
Zn4 Zn 0.09870(9) 0.66045(6) 0.46817(5) 0.0512(3) Uani 1 1 d .
O1 O 0.5577(5) 0.3648(3) 0.26039(19) 0.0359(13) Uani 1 1 d .
O2 O 0.8032(4) 0.2778(3) 0.3351(2) 0.0359(13) Uani 1 1 d .
O3 O 0.6550(4) 0.6508(3) 0.37341(19) 0.0284(11) Uani 1 1 d .
O4 O 0.4604(5) 0.6249(3) 0.5527(2) 0.0437(15) Uani 1 1 d .
O5 O 0.7804(5) 0.6636(3) 0.5362(2) 0.0438(15) Uani 1 1 d .
O6 O 0.5585(4) 0.5044(3) 0.30060(19) 0.0283(11) Uani 1 1 d .
O7 O 0.6424(4) 0.5465(3) 0.53140(19) 0.0274(11) Uani 1 1 d .
O8 O 0.4828(4) 0.6006(3) 0.35213(18) 0.0264(10) Uani 1 1 d .
O9 O 0.3992(4) 0.4101(3) 0.44261(18) 0.0246(10) Uani 1 1 d .
O10 O 0.7797(5) 0.4544(3) 0.5819(2) 0.0395(13) Uani 1 1 d .
O11 O 0.4133(4) 0.3509(3) 0.5375(2) 0.0376(13) Uani 1 1 d .
O12 O 0.7974(4) 0.6461(3) 0.4425(2) 0.0295(11) Uani 1 1 d .
O13 O 0.9932(4) 0.4492(3) 0.45822(19) 0.0282(11) Uani 1 1 d .
O14 O 0.6976(4) 0.2618(3) 0.5165(2) 0.0305(12) Uani 1 1 d .
O15 O 0.6101(4) 0.6456(3) 0.2734(2) 0.0338(12) Uani 1 1 d .
O16 O 0.4484(4) 0.4149(2) 0.34352(19) 0.0239(10) Uani 1 1 d .
O17 O 0.2479(4) 0.5127(3) 0.4736(2) 0.0378(13) Uani 1 1 d .
O18 O 0.4805(5) 0.7264(3) 0.4085(2) 0.0403(14) Uani 1 1 d .
O19 O 0.7958(3) 0.3966(2) 0.48660(16) 0.0198(9) Uani 1 1 d .
O20 O 0.3392(5) 0.5237(3) 0.2911(2) 0.0432(15) Uani 1 1 d .
O21 O 0.5467(4) 0.3279(2) 0.45693(18) 0.0216(10) Uani 1 1 d .
O22 O 0.4525(4) 0.4915(3) 0.50911(19) 0.0290(11) Uani 1 1 d .
O23 O 0.3376(4) 0.5148(3) 0.3873(2) 0.0307(12) Uani 1 1 d .
O24 O 0.3986(4) 0.2839(3) 0.3877(2) 0.0323(12) Uani 1 1 d .
O25 O 0.4302(4) 0.5954(3) 0.4525(2) 0.0279(11) Uani 1 1 d .
O26 O 0.7355(4) 0.2984(2) 0.42422(17) 0.0230(10) Uani 1 1 d .
O27 O 0.6167(4) 0.4009(3) 0.52372(19) 0.0276(11) Uani 1 1 d .
O28 O 0.8754(5) 0.6762(3) 0.3556(2) 0.0444(15) Uani 1 1 d .
O29 O 0.9265(5) 0.4734(4) 0.3049(2) 0.0427(15) Uani 1 1 d .
O30 O 0.8693(4) 0.5346(3) 0.39511(17) 0.0245(10) Uani 1 1 d .
O31 O 0.7532(4) 0.5590(3) 0.32502(19) 0.0288(11) Uani 1 1 d .
O32 O 0.6031(4) 0.6442(3) 0.4735(2) 0.0293(11) Uani 1 1 d .
O33 O 0.7255(4) 0.4157(3) 0.31801(18) 0.0289(11) Uani 1 1 d .
O34 O 0.8457(4) 0.4050(2) 0.38833(17) 0.0216(10) Uani 1 1 d .
O35 O 0.8194(4) 0.5273(2) 0.49309(18) 0.0235(10) Uani 1 1 d .
O36 O 0.5980(3) 0.3342(2) 0.35820(17) 0.0213(9) Uani 1 1 d .
Cl1 Cl 0.62288(15) 0.48824(11) 0.41777(7) 0.0344(4) Uani 1 1 d .
C1 C 0.2857(9) 0.3097(7) 0.1964(4) 0.060(2) Uani 1 1 d U
H1C H 0.2489 0.2653 0.1927 0.072 Uiso 1 1 calc R
H1D H 0.2544 0.3440 0.1752 0.072 Uiso 1 1 calc R
C2 C 0.2766(9) 0.3347(7) 0.2463(4) 0.061(2) Uani 1 1 d U
H2C H 0.2996 0.3834 0.2482 0.074 Uiso 1 1 calc R
H2D H 0.2042 0.3332 0.2559 0.074 Uiso 1 1 calc R
C3 C 0.6173(9) 0.1594(5) 0.2848(4) 0.052(2) Uani 1 1 d U
H3C H 0.5878 0.1164 0.2719 0.062 Uiso 1 1 calc R
H3D H 0.6636 0.1465 0.3104 0.062 Uiso 1 1 calc R
C4 C 0.6774(8) 0.1958(6) 0.2474(4) 0.051(2) Uani 1 1 d U
H4C H 0.7278 0.1634 0.2340 0.061 Uiso 1 1 calc R
H4D H 0.7147 0.2353 0.2611 0.061 Uiso 1 1 calc R
C5 C 0.6305(9) 0.1259(7) 0.4271(4) 0.060(2) Uani 1 1 d U
H5C H 0.6493 0.0874 0.4061 0.072 Uiso 1 1 calc R
H5D H 0.6552 0.1695 0.4129 0.072 Uiso 1 1 calc R
C6 C 0.5193(9) 0.1289(7) 0.4313(4) 0.059(2) Uani 1 1 d U
H6C H 0.4930 0.0814 0.4360 0.071 Uiso 1 1 calc R
H6D H 0.4905 0.1466 0.4018 0.071 Uiso 1 1 calc R
C7 C 0.6190(9) 0.1469(7) 0.6276(4) 0.063(2) Uani 1 1 d U
H7C H 0.6653 0.1508 0.6546 0.075 Uiso 1 1 calc R
H7D H 0.5710 0.1084 0.6336 0.075 Uiso 1 1 calc R
C8 C 0.5587(9) 0.2163(7) 0.6209(4) 0.061(2) Uani 1 1 d U
H8C H 0.5110 0.2228 0.6472 0.073 Uiso 1 1 calc R
H8D H 0.6069 0.2557 0.6208 0.073 Uiso 1 1 calc R
C9 C 0.1087(18) 1.1631(14) 0.2649(9) 0.139(4) Uani 1 1 d U
H9C H 0.1044 1.1917 0.2933 0.167 Uiso 1 1 calc R
H9D H 0.1430 1.1898 0.2401 0.167 Uiso 1 1 calc R
C10 C 0.0044(19) 1.1388(13) 0.2495(9) 0.140(4) Uani 1 1 d U
H10C H 0.0069 1.1304 0.2156 0.168 Uiso 1 1 calc R
H10D H -0.0443 1.1770 0.2548 0.168 Uiso 1 1 calc R
C13 C 0.2023(11) 0.6819(7) 0.3784(5) 0.075(2) Uani 1 1 d U
H13C H 0.2679 0.6641 0.3904 0.090 Uiso 1 1 calc R
H13D H 0.2160 0.7073 0.3492 0.090 Uiso 1 1 calc R
C14 C 0.1286(10) 0.6197(7) 0.3684(5) 0.067(2) Uani 1 1 d U
H14C H 0.0696 0.6362 0.3501 0.080 Uiso 1 1 calc R
H14D H 0.1646 0.5843 0.3498 0.080 Uiso 1 1 calc R
C15 C 0.1967(12) 0.6568(8) 0.5588(5) 0.082(3) Uani 1 1 d U
H15C H 0.2595 0.6525 0.5776 0.099 Uiso 1 1 calc R
H15D H 0.1534 0.6922 0.5738 0.099 Uiso 1 1 calc R
C16 C 0.1448(13) 0.5929(8) 0.5603(6) 0.084(3) Uani 1 1 d U
H16C H 0.1143 0.5873 0.5915 0.100 Uiso 1 1 calc R
H16D H 0.1949 0.5551 0.5560 0.100 Uiso 1 1 calc R
N1 N 0.3963(7) 0.2999(5) 0.1838(3) 0.0474(16) Uani 1 1 d U
H1A H 0.4254 0.3417 0.1763 0.057 Uiso 1 1 calc R
H1B H 0.4023 0.2707 0.1588 0.057 Uiso 1 1 calc R
N2 N 0.3374(7) 0.2923(5) 0.2786(3) 0.0511(17) Uani 1 1 d U
H2A H 0.2995 0.2553 0.2887 0.061 Uiso 1 1 calc R
H2B H 0.3557 0.3182 0.3040 0.061 Uiso 1 1 calc R
N3 N 0.5358(6) 0.2028(4) 0.3029(3) 0.0418(15) Uani 1 1 d U
H3A H 0.5611 0.2341 0.3240 0.050 Uiso 1 1 calc R
H3B H 0.4874 0.1761 0.3174 0.050 Uiso 1 1 calc R
N4 N 0.6066(6) 0.2219(4) 0.2090(3) 0.0425(15) Uani 1 1 d U
H4A H 0.5920 0.1870 0.1884 0.051 Uiso 1 1 calc R
H4B H 0.6363 0.2578 0.1931 0.051 Uiso 1 1 calc R
N5 N 0.6809(6) 0.1160(4) 0.4721(3) 0.0412(15) Uani 1 1 d U
H5A H 0.7442 0.1360 0.4716 0.049 Uiso 1 1 calc R
H5B H 0.6888 0.0695 0.4779 0.049 Uiso 1 1 calc R
N6 N 0.4837(6) 0.1729(4) 0.4697(3) 0.0417(15) Uani 1 1 d U
H6A H 0.4200 0.1593 0.4792 0.050 Uiso 1 1 calc R
H6B H 0.4804 0.2183 0.4603 0.050 Uiso 1 1 calc R
N7 N 0.6784(6) 0.1325(4) 0.5851(3) 0.0437(15) Uani 1 1 d U
H7A H 0.6939 0.0862 0.5836 0.052 Uiso 1 1 calc R
H7B H 0.7383 0.1570 0.5857 0.052 Uiso 1 1 calc R
N8 N 0.5011(6) 0.2155(4) 0.5768(3) 0.0431(15) Uani 1 1 d U
H8A H 0.4884 0.2600 0.5672 0.052 Uiso 1 1 calc R
H8B H 0.4399 0.1934 0.5809 0.052 Uiso 1 1 calc R
N9 N 0.1685(15) 1.0886(11) 0.2751(7) 0.140(4) Uani 1 1 d U
H9A H 0.2164 1.0965 0.2977 0.168 Uiso 1 1 calc R
H9B H 0.2029 1.0765 0.2485 0.168 Uiso 1 1 calc R
N10 N -0.0453(15) 1.0631(10) 0.2765(7) 0.139(4) Uani 1 1 d U
H10A H -0.0859 1.0391 0.2561 0.167 Uiso 1 1 calc R
H10B H -0.0832 1.0746 0.3022 0.167 Uiso 1 1 calc R
N13 N 0.1575(10) 0.7289(6) 0.4124(4) 0.079(2) Uani 1 1 d U
H13A H 0.1057 0.7541 0.3993 0.095 Uiso 1 1 calc R
H13B H 0.2056 0.7588 0.4238 0.095 Uiso 1 1 calc R
N14 N 0.0923(7) 0.5885(5) 0.4121(3) 0.0553(17) Uani 1 1 d U
H14A H 0.1316 0.5507 0.4191 0.066 Uiso 1 1 calc R
H14B H 0.0264 0.5737 0.4083 0.066 Uiso 1 1 calc R
N15 N 0.2253(9) 0.6821(6) 0.5119(4) 0.076(2) Uani 1 1 d U
H15A H 0.2824 0.6597 0.5014 0.091 Uiso 1 1 calc R
H15B H 0.2382 0.7288 0.5126 0.091 Uiso 1 1 calc R
N16 N 0.0581(9) 0.5846(6) 0.5226(4) 0.073(2) Uani 1 1 d U
H16A H -0.0046 0.5944 0.5351 0.088 Uiso 1 1 calc R
H16B H 0.0571 0.5405 0.5108 0.088 Uiso 1 1 calc R
O2W O -0.0272(7) 0.7248(4) 0.4807(4) 0.072(2) Uani 1 1 d .
O3W O 0.455(2) 0.6873(8) 0.6422(10) 0.117(9) Uani 0.50 1 d P
O4W O 0.3629(12) 0.3583(6) 0.6341(5) 0.048(3) Uani 0.50 1 d P
O5W O 0.8002(8) 0.3393(4) 0.6451(3) 0.077(3) Uani 1 1 d .
N12 N 0.0001(16) 0.9044(11) 0.2833(8) 0.159(4) Uani 1 1 d DU
H12A H -0.0212 0.8873 0.3114 0.191 Uiso 1 1 calc R
H12B H -0.0570 0.9136 0.2659 0.191 Uiso 1 1 calc R
N11 N 0.2080(17) 0.9380(11) 0.2967(8) 0.161(4) Uani 1 1 d DU
H11A H 0.2519 0.9472 0.2727 0.193 Uiso 1 1 calc R
H11B H 0.2423 0.9403 0.3244 0.193 Uiso 1 1 calc R
C11 C 0.155(2) 0.8699(14) 0.2906(10) 0.165(5) Uani 1 1 d DU
H11C H 0.1316 0.8578 0.3222 0.198 Uiso 1 1 calc R
H11D H 0.2107 0.8371 0.2835 0.198 Uiso 1 1 calc R
C12 C 0.0636(18) 0.8456(14) 0.2576(9) 0.168(5) Uani 1 1 d DU
H12C H 0.0751 0.8541 0.2240 0.202 Uiso 1 1 calc R
H12D H 0.0392 0.7980 0.2634 0.202 Uiso 1 1 calc R
O1W O 0.062(4) 1.010(3) 0.3700(7) 0.050(11) Uani 0.15 1 d PDU
O1W' O 0.0656(7) 1.0189(4) 0.3368(4) 0.0499(19) Uani 0.85 1 d PU
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
V V 0.3005 0.5294 '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'
Cl Cl 0.1484 0.1585 '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
O28 V1 O12 103.8(3) . .
O28 V1 O3 111.4(3) . .
O12 V1 O3 91.0(2) . .
O28 V1 O30 110.0(3) . .
O12 V1 O30 90.3(2) . .
O3 V1 O30 136.9(2) . .
O28 V1 O31 103.0(3) . .
O12 V1 O31 153.1(2) . .
O3 V1 O31 80.4(2) . .
O30 V1 O31 79.3(2) . .
O28 V1 V13 111.5(2) . .
O12 V1 V13 127.36(18) . .
O3 V1 V13 40.36(16) . .
O30 V1 V13 111.58(15) . .
O31 V1 V13 40.06(15) . .
O28 V1 V11 110.2(3) . .
O12 V1 V11 126.78(16) . .
O3 V1 V11 111.93(16) . .
O30 V1 V11 40.20(15) . .
O31 V1 V11 39.13(14) . .
V13 V1 V11 75.09(5) . .
O5 V2 O12 102.3(3) . .
O5 V2 O32 110.3(3) . .
O12 V2 O32 90.4(2) . .
O5 V2 O35 109.4(3) . .
O12 V2 O35 91.7(2) . .
O32 V2 O35 138.8(2) . .
O5 V2 O7 103.1(3) . .
O12 V2 O7 154.6(2) . .
O32 V2 O7 79.8(2) . .
O35 V2 O7 80.9(2) . .
O5 V2 V8 111.5(3) . .
O12 V2 V8 127.02(17) . .
O32 V2 V8 40.40(16) . .
O35 V2 V8 112.63(16) . .
O7 V2 V8 39.42(15) . .
O5 V2 V7 110.4(2) . .
O12 V2 V7 128.36(18) . .
O32 V2 V7 112.97(16) . .
O35 V2 V7 40.44(15) . .
O7 V2 V7 40.50(14) . .
V8 V2 V7 75.72(5) . .
O20 V3 O23 104.2(3) . .
O20 V3 O16 110.3(3) . .
O23 V3 O16 91.7(2) . .
O20 V3 O8 110.7(3) . .
O23 V3 O8 91.2(2) . .
O16 V3 O8 136.8(2) . .
O20 V3 O6 102.1(3) . .
O23 V3 O6 153.6(2) . .
O16 V3 O6 79.3(2) . .
O8 V3 O6 79.3(2) . .
O20 V3 V14 110.5(3) . .
O23 V3 V14 127.50(17) . .
O16 V3 V14 39.96(15) . .
O8 V3 V14 110.85(16) . .
O6 V3 V14 39.38(15) . .
O20 V3 V13 111.1(2) . .
O23 V3 V13 126.70(19) . .
O16 V3 V13 110.95(15) . .
O8 V3 V13 39.61(16) . .
O6 V3 V13 39.70(15) . .
V14 V3 V13 74.48(5) . .
O13 V4 O35 105.8(2) . .
O13 V4 O34 105.6(2) . .
O35 V4 O34 148.6(2) . .
O13 V4 O19 104.5(2) . .
O35 V4 O19 79.3(2) . .
O34 V4 O19 92.9(2) . .
O13 V4 O30 106.6(2) . .
O35 V4 O30 92.8(2) . .
O34 V4 O30 78.2(2) . .
O19 V4 O30 148.9(2) . .
O13 V4 V7 113.8(2) . .
O35 V4 V7 39.47(14) . .
O34 V4 V7 123.68(14) . .
O19 V4 V7 40.15(14) . .
O30 V4 V7 123.22(16) . .
O13 V4 V11 114.1(2) . .
O35 V4 V11 123.49(15) . .
O34 V4 V11 39.23(14) . .
O19 V4 V11 123.76(14) . .
O30 V4 V11 39.19(15) . .
V7 V4 V11 132.02(5) . .
O2 V5 O26 103.7(3) . .
O2 V5 O34 109.8(3) . .
O26 V5 O34 91.6(2) . .
O2 V5 O36 111.5(3) . .
O26 V5 O36 91.0(2) . .
O34 V5 O36 136.6(2) . .
O2 V5 O33 102.0(3) . .
O26 V5 O33 154.2(2) . .
O34 V5 O33 79.7(2) . .
O36 V5 O33 79.5(2) . .
O2 V5 V11 109.5(2) . .
O26 V5 V11 128.05(16) . .
O34 V5 V11 39.99(14) . .
O36 V5 V11 111.59(15) . .
O33 V5 V11 39.71(15) . .
O2 V5 V14 110.3(2) . .
O26 V5 V14 127.74(16) . .
O34 V5 V14 111.66(15) . .
O36 V5 V14 40.07(14) . .
O33 V5 V14 39.48(15) . .
V11 V5 V14 75.22(5) . .
O18 V6 O3 105.0(3) . .
O18 V6 O25 105.0(3) . .
O3 V6 O25 150.0(2) . .
O18 V6 O32 105.6(3) . .
O3 V6 O32 94.5(2) . .
O25 V6 O32 77.5(2) . .
O18 V6 O8 104.8(3) . .
O3 V6 O8 77.8(2) . .
O25 V6 O8 94.4(2) . .
O32 V6 O8 149.6(2) . .
O18 V6 V13 113.7(2) . .
O3 V6 V13 39.08(16) . .
O25 V6 V13 124.54(16) . .
O32 V6 V13 124.33(17) . .
O8 V6 V13 39.15(15) . .
O18 V6 V8 114.6(2) . .
O3 V6 V8 124.05(16) . .
O25 V6 V8 39.21(16) . .
O32 V6 V8 38.82(16) . .
O8 V6 V8 124.16(15) . .
V13 V6 V8 131.68(5) . .
O10 V7 O27 107.5(3) . .
O10 V7 O7 107.7(3) . .
O27 V7 O7 92.9(2) . .
O10 V7 O35 109.7(3) . .
O27 V7 O35 142.2(2) . .
O7 V7 O35 82.6(2) . .
O10 V7 O19 108.9(3) . .
O27 V7 O19 81.7(2) . .
O7 V7 O19 142.9(2) . .
O35 V7 O19 79.9(2) . .
O10 V7 V2 114.0(2) . .
O27 V7 V2 125.68(16) . .
O7 V7 V2 42.46(16) . .
O35 V7 V2 40.15(14) . .
O19 V7 V2 114.26(14) . .
O10 V7 V10 113.2(2) . .
O27 V7 V10 42.06(16) . .
O7 V7 V10 125.77(16) . .
O35 V7 V10 113.72(15) . .
O19 V7 V10 39.67(14) . .
V2 V7 V10 132.00(6) . .
O10 V7 V4 119.5(2) . .
O27 V7 V4 112.72(17) . .
O7 V7 V4 113.22(17) . .
O35 V7 V4 39.86(14) . .
O19 V7 V4 40.40(14) . .
V2 V7 V4 75.07(5) . .
V10 V7 V4 75.05(4) . .
O4 V8 O22 106.0(3) . .
O4 V8 O7 107.3(3) . .
O22 V8 O7 93.0(2) . .
O4 V8 O32 109.4(3) . .
O22 V8 O32 143.9(2) . .
O7 V8 O32 82.6(2) . .
O4 V8 O25 108.2(3) . .
O22 V8 O25 83.5(2) . .
O7 V8 O25 143.8(2) . .
O32 V8 O25 79.6(2) . .
O4 V8 V9 112.7(3) . .
O22 V8 V9 43.69(17) . .
O7 V8 V9 126.95(16) . .
O32 V8 V9 113.66(17) . .
O25 V8 V9 39.86(15) . .
O4 V8 V2 114.5(2) . .
O22 V8 V2 125.97(17) . .
O7 V8 V2 42.41(16) . .
O32 V8 V2 40.21(16) . .
O25 V8 V2 113.93(16) . .
V9 V8 V2 131.99(6) . .
O4 V8 V6 119.8(2) . .
O22 V8 V6 113.70(17) . .
O7 V8 V6 113.45(17) . .
O32 V8 V6 40.31(16) . .
O25 V8 V6 39.78(16) . .
V9 V8 V6 74.31(5) . .
V2 V8 V6 75.12(5) . .
O17 V9 O23 103.1(3) . .
O17 V9 O9 110.3(3) . .
O23 V9 O9 90.7(2) . .
O17 V9 O25 109.9(3) . .
O23 V9 O25 91.7(2) . .
O9 V9 O25 137.9(2) . .
O17 V9 O22 101.8(3) . .
O23 V9 O22 155.1(2) . .
O9 V9 O22 79.8(2) . .
O25 V9 O22 80.6(2) . .
O17 V9 V8 110.2(2) . .
O23 V9 V8 128.86(18) . .
O9 V9 V8 111.56(16) . .
O25 V9 V8 41.05(16) . .
O22 V9 V8 39.60(15) . .
O17 V9 V15 109.8(2) . .
O23 V9 V15 127.84(17) . .
O9 V9 V15 40.40(16) . .
O25 V9 V15 112.54(16) . .
O22 V9 V15 39.38(14) . .
V8 V9 V15 74.76(5) . .
O14 V10 O26 104.6(3) . .
O14 V10 O21 108.0(2) . .
O26 V10 O21 91.1(2) . .
O14 V10 O19 113.1(2) . .
O26 V10 O19 90.8(2) . .
O21 V10 O19 136.9(2) . .
O14 V10 O27 102.0(3) . .
O26 V10 O27 153.3(2) . .
O21 V10 O27 79.5(2) . .
O19 V10 O27 79.9(2) . .
O14 V10 V15 108.5(2) . .
O26 V10 V15 127.49(16) . .
O21 V10 V15 40.40(15) . .
O19 V10 V15 111.33(14) . .
O27 V10 V15 39.08(15) . .
O14 V10 V7 111.9(2) . .
O26 V10 V7 127.18(16) . .
O21 V10 V7 111.36(15) . .
O19 V10 V7 40.33(14) . .
O27 V10 V7 39.61(15) . .
V15 V10 V7 74.50(4) . .
O29 V11 O31 107.6(3) . .
O29 V11 O33 107.3(3) . .
O31 V11 O33 92.8(2) . .
O29 V11 O30 109.4(3) . .
O31 V11 O30 82.8(2) . .
O33 V11 O30 142.7(2) . .
O29 V11 O34 108.7(3) . .
O31 V11 O34 143.3(2) . .
O33 V11 O34 82.1(2) . .
O30 V11 O34 79.8(2) . .
O29 V11 V1 113.6(3) . .
O31 V11 V1 42.68(17) . .
O33 V11 V1 126.17(17) . .
O30 V11 V1 40.13(15) . .
O34 V11 V1 114.41(16) . .
O29 V11 V5 112.7(3) . .
O31 V11 V5 126.53(16) . .
O33 V11 V5 42.68(16) . .
O30 V11 V5 113.77(15) . .
O34 V11 V5 39.48(14) . .
V1 V11 V5 132.85(6) . .
O29 V11 V4 118.5(2) . .
O31 V11 V4 114.20(17) . .
O33 V11 V4 113.31(17) . .
O30 V11 V4 40.13(14) . .
O34 V11 V4 39.95(15) . .
V1 V11 V4 75.75(5) . .
V5 V11 V4 74.92(4) . .
O24 V12 O36 106.1(3) . .
O24 V12 O9 105.4(3) . .
O36 V12 O9 148.5(2) . .
O24 V12 O16 105.1(3) . .
O36 V12 O16 78.6(2) . .
O9 V12 O16 93.5(2) . .
O24 V12 O21 105.1(2) . .
O36 V12 O21 93.2(2) . .
O9 V12 O21 78.3(2) . .
O16 V12 O21 149.9(2) . .
O24 V12 V14 114.5(2) . .
O36 V12 V14 39.36(14) . .
O9 V12 V14 123.63(15) . .
O16 V12 V14 39.64(14) . .
O21 V12 V14 123.88(14) . .
O24 V12 V15 113.4(2) . .
O36 V12 V15 123.58(14) . .
O9 V12 V15 39.26(15) . .
O16 V12 V15 124.33(15) . .
O21 V12 V15 39.34(14) . .
V14 V12 V15 132.10(5) . .
O15 V13 O31 107.9(3) . .
O15 V13 O6 107.5(3) . .
O31 V13 O6 93.9(2) . .
O15 V13 O8 108.2(3) . .
O31 V13 O8 143.2(2) . .
O6 V13 O8 82.0(2) . .
O15 V13 O3 107.7(3) . .
O31 V13 O3 82.7(2) . .
O6 V13 O3 144.0(2) . .
O8 V13 O3 79.9(2) . .
O15 V13 V1 112.7(2) . .
O31 V13 V1 42.83(17) . .
O6 V13 V1 127.69(16) . .
O8 V13 V1 114.18(16) . .
O3 V13 V1 39.95(15) . .
O15 V13 V3 113.6(2) . .
O31 V13 V3 126.62(16) . .
O6 V13 V3 42.78(17) . .
O8 V13 V3 39.19(15) . .
O3 V13 V3 113.52(17) . .
V1 V13 V3 132.54(6) . .
O15 V13 V6 118.3(2) . .
O31 V13 V6 112.95(17) . .
O6 V13 V6 113.57(17) . .
O8 V13 V6 40.61(15) . .
O3 V13 V6 39.70(16) . .
V1 V13 V6 74.61(5) . .
V3 V13 V6 74.76(5) . .
O1 V14 O33 108.7(3) . .
O1 V14 O6 109.0(3) . .
O33 V14 O6 93.6(2) . .
O1 V14 O36 106.8(3) . .
O33 V14 O36 82.2(2) . .
O6 V14 O36 143.4(2) . .
O1 V14 O16 108.0(3) . .
O33 V14 O16 142.5(2) . .
O6 V14 O16 81.8(2) . .
O36 V14 O16 80.0(2) . .
O1 V14 V5 112.1(2) . .
O33 V14 V5 42.63(17) . .
O6 V14 V5 127.31(16) . .
O36 V14 V5 39.66(14) . .
O16 V14 V5 114.01(16) . .
O1 V14 V3 114.1(2) . .
O33 V14 V3 126.26(17) . .
O6 V14 V3 42.83(17) . .
O36 V14 V3 113.38(15) . .
O16 V14 V3 39.00(14) . .
V5 V14 V3 132.31(5) . .
O1 V14 V12 117.1(2) . .
O33 V14 V12 112.73(17) . .
O6 V14 V12 113.19(17) . .
O36 V14 V12 40.01(14) . .
O16 V14 V12 40.33(15) . .
V5 V14 V12 74.78(5) . .
V3 V14 V12 74.42(4) . .
O11 V15 O27 106.9(3) . .
O11 V15 O22 107.4(3) . .
O27 V15 O22 94.2(2) . .
O11 V15 O9 109.2(3) . .
O27 V15 O9 143.0(2) . .
O22 V15 O9 82.6(2) . .
O11 V15 O21 107.8(3) . .
O27 V15 O21 81.9(2) . .
O22 V15 O21 144.2(2) . .
O9 V15 O21 79.8(2) . .
O11 V15 V9 113.5(2) . .
O27 V15 V9 127.70(16) . .
O22 V15 V9 43.33(17) . .
O9 V15 V9 39.28(15) . .
O21 V15 V9 113.92(15) . .
O11 V15 V10 112.2(2) . .
O27 V15 V10 42.59(17) . .
O22 V15 V10 127.71(17) . .
O9 V15 V10 113.63(15) . .
O21 V15 V10 39.38(14) . .
V9 V15 V10 133.06(5) . .
O11 V15 V12 118.2(2) . .
O27 V15 V12 113.34(17) . .
O22 V15 V12 114.01(17) . .
O9 V15 V12 39.84(15) . .
O21 V15 V12 40.24(15) . .
V9 V15 V12 74.73(5) . .
V10 V15 V12 74.93(4) . .
N2 Zn1 N4 178.6(3) . .
N2 Zn1 N1 82.9(3) . .
N4 Zn1 N1 97.2(3) . .
N2 Zn1 N3 96.3(3) . .
N4 Zn1 N3 83.7(3) . .
N1 Zn1 N3 174.2(3) . .
N2 Zn1 O15 91.5(3) . 4_645
N4 Zn1 O15 89.9(3) . 4_645
N1 Zn1 O15 89.2(3) . 4_645
N3 Zn1 O15 85.1(2) . 4_645
N2 Zn1 O1 90.6(3) . .
N4 Zn1 O1 88.1(3) . .
N1 Zn1 O1 91.8(3) . .
N3 Zn1 O1 94.0(2) . .
O15 Zn1 O1 177.8(2) 4_645 .
N5 Zn2 N7 99.5(3) . .
N5 Zn2 N6 82.1(3) . .
N7 Zn2 N6 168.0(3) . .
N5 Zn2 N8 175.7(3) . .
N7 Zn2 N8 82.9(3) . .
N6 Zn2 N8 96.3(3) . .
N5 Zn2 O14 85.9(3) . .
N7 Zn2 O14 89.2(3) . .
N6 Zn2 O14 102.8(2) . .
N8 Zn2 O14 90.6(3) . .
O1W' Zn3 N11 105.4(8) . .
O1W' Zn3 N9 99.9(7) . .
N11 Zn3 N9 92.5(8) . .
O1W' Zn3 N10 89.3(7) . .
N11 Zn3 N10 165.2(9) . .
N9 Zn3 N10 85.8(8) . .
O1W' Zn3 O1W 10.8(14) . .
N11 Zn3 O1W 96.8(15) . .
N9 Zn3 O1W 107.2(14) . .
N10 Zn3 O1W 97.7(14) . .
O1W' Zn3 N12 106.5(7) . .
N11 Zn3 N12 82.1(9) . .
N9 Zn3 N12 153.6(8) . .
N10 Zn3 N12 92.9(8) . .
O1W Zn3 N12 99.1(14) . .
O2W Zn4 N15 113.4(4) . .
O2W Zn4 N14 119.0(4) . .
N15 Zn4 N14 127.4(4) . .
O2W Zn4 N16 94.7(4) . .
N15 Zn4 N16 84.3(4) . .
N14 Zn4 N16 95.4(4) . .
O2W Zn4 N13 92.6(4) . .
N15 Zn4 N13 92.2(5) . .
N14 Zn4 N13 81.6(4) . .
N16 Zn4 N13 172.7(5) . .
V14 O1 Zn1 131.6(3) . .
V1 O3 V13 99.7(2) . .
V1 O3 V6 137.1(3) . .
V13 O3 V6 101.2(2) . .
V14 O6 V13 140.8(3) . .
V14 O6 V3 97.8(2) . .
V13 O6 V3 97.5(2) . .
V8 O7 V7 142.6(3) . .
V8 O7 V2 98.2(2) . .
V7 O7 V2 97.0(2) . .
V3 O8 V13 101.2(2) . .
V3 O8 V6 136.9(3) . .
V13 O8 V6 100.2(2) . .
V9 O9 V15 100.3(2) . .
V9 O9 V12 139.0(3) . .
V15 O9 V12 100.9(2) . .
V2 O12 V1 134.4(3) . .
V10 O14 Zn2 129.4(3) . .
V13 O15 Zn1 134.8(3) . 4_655
V3 O16 V14 101.0(2) . .
V3 O16 V12 137.3(3) . .
V14 O16 V12 100.0(2) . .
V10 O19 V7 100.0(2) . .
V10 O19 V4 137.9(3) . .
V7 O19 V4 99.4(2) . .
V10 O21 V15 100.2(2) . .
V10 O21 V12 138.4(3) . .
V15 O21 V12 100.4(2) . .
V8 O22 V15 142.7(3) . .
V8 O22 V9 96.7(2) . .
V15 O22 V9 97.3(2) . .
V3 O23 V9 134.0(3) . .
V9 O25 V8 99.1(2) . .
V9 O25 V6 136.5(3) . .
V8 O25 V6 101.0(2) . .
V5 O26 V10 133.8(3) . .
V15 O27 V7 141.7(3) . .
V15 O27 V10 98.3(2) . .
V7 O27 V10 98.3(2) . .
V1 O30 V11 99.7(2) . .
V1 O30 V4 139.3(3) . .
V11 O30 V4 100.7(2) . .
V11 O31 V13 142.7(3) . .
V11 O31 V1 98.2(2) . .
V13 O31 V1 97.1(2) . .
V2 O32 V8 99.4(2) . .
V2 O32 V6 136.4(3) . .
V8 O32 V6 100.9(2) . .
V14 O33 V11 143.2(3) . .
V14 O33 V5 97.9(2) . .
V11 O33 V5 97.6(2) . .
V5 O34 V11 100.5(2) . .
V5 O34 V4 138.6(3) . .
V11 O34 V4 100.8(2) . .
V2 O35 V7 99.4(2) . .
V2 O35 V4 137.9(3) . .
V7 O35 V4 100.7(2) . .
V5 O36 V14 100.3(2) . .
V5 O36 V12 137.6(3) . .
V14 O36 V12 100.6(2) . .
N1 C1 C2 110.0(9) . .
N1 C1 H1C 109.7 . .
C2 C1 H1C 109.7 . .
N1 C1 H1D 109.7 . .
C2 C1 H1D 109.7 . .
H1C C1 H1D 108.2 . .
N2 C2 C1 112.1(9) . .
N2 C2 H2C 109.2 . .
C1 C2 H2C 109.2 . .
N2 C2 H2D 109.2 . .
C1 C2 H2D 109.2 . .
H2C C2 H2D 107.9 . .
N3 C3 C4 111.9(8) . .
N3 C3 H3C 109.2 . .
C4 C3 H3C 109.2 . .
N3 C3 H3D 109.2 . .
C4 C3 H3D 109.2 . .
H3C C3 H3D 107.9 . .
C3 C4 N4 110.5(8) . .
C3 C4 H4C 109.5 . .
N4 C4 H4C 109.5 . .
C3 C4 H4D 109.5 . .
N4 C4 H4D 109.5 . .
H4C C4 H4D 108.1 . .
N5 C5 C6 112.4(10) . .
N5 C5 H5C 109.1 . .
C6 C5 H5C 109.1 . .
N5 C5 H5D 109.1 . .
C6 C5 H5D 109.1 . .
H5C C5 H5D 107.8 . .
C5 C6 N6 113.6(10) . .
C5 C6 H6C 108.8 . .
N6 C6 H6C 108.8 . .
C5 C6 H6D 108.8 . .
N6 C6 H6D 108.8 . .
H6C C6 H6D 107.7 . .
N7 C7 C8 109.0(10) . .
N7 C7 H7C 109.9 . .
C8 C7 H7C 109.9 . .
N7 C7 H7D 109.9 . .
C8 C7 H7D 109.9 . .
H7C C7 H7D 108.3 . .
N8 C8 C7 110.8(9) . .
N8 C8 H8C 109.5 . .
C7 C8 H8C 109.5 . .
N8 C8 H8D 109.5 . .
C7 C8 H8D 109.5 . .
H8C C8 H8D 108.1 . .
C10 C9 N9 102(2) . .
C10 C9 H9C 111.3 . .
N9 C9 H9C 111.3 . .
C10 C9 H9D 111.3 . .
N9 C9 H9D 111.3 . .
H9C C9 H9D 109.2 . .
C9 C10 N10 117(2) . .
C9 C10 H10C 108.0 . .
N10 C10 H10C 108.0 . .
C9 C10 H10D 108.0 . .
N10 C10 H10D 108.0 . .
H10C C10 H10D 107.2 . .
N13 C13 C14 110.5(11) . .
N13 C13 H13C 109.5 . .
C14 C13 H13C 109.5 . .
N13 C13 H13D 109.5 . .
C14 C13 H13D 109.5 . .
H13C C13 H13D 108.1 . .
N14 C14 C13 110.8(11) . .
N14 C14 H14C 109.5 . .
C13 C14 H14C 109.5 . .
N14 C14 H14D 109.5 . .
C13 C14 H14D 109.5 . .
H14C C14 H14D 108.1 . .
C16 C15 N15 116.1(13) . .
C16 C15 H15C 108.3 . .
N15 C15 H15C 108.3 . .
C16 C15 H15D 108.3 . .
N15 C15 H15D 108.3 . .
H15C C15 H15D 107.4 . .
C15 C16 N16 114.6(13) . .
C15 C16 H16C 108.6 . .
N16 C16 H16C 108.6 . .
C15 C16 H16D 108.6 . .
N16 C16 H16D 108.6 . .
H16C C16 H16D 107.6 . .
C1 N1 Zn1 107.1(7) . .
C1 N1 H1A 110.3 . .
Zn1 N1 H1A 110.3 . .
C1 N1 H1B 110.3 . .
Zn1 N1 H1B 110.3 . .
H1A N1 H1B 108.5 . .
C2 N2 Zn1 109.3(7) . .
C2 N2 H2A 109.8 . .
Zn1 N2 H2A 109.8 . .
C2 N2 H2B 109.8 . .
Zn1 N2 H2B 109.8 . .
H2A N2 H2B 108.3 . .
C3 N3 Zn1 106.4(6) . .
C3 N3 H3A 110.5 . .
Zn1 N3 H3A 110.5 . .
C3 N3 H3B 110.5 . .
Zn1 N3 H3B 110.5 . .
H3A N3 H3B 108.6 . .
C4 N4 Zn1 105.8(6) . .
C4 N4 H4A 110.6 . .
Zn1 N4 H4A 110.6 . .
C4 N4 H4B 110.6 . .
Zn1 N4 H4B 110.6 . .
H4A N4 H4B 108.7 . .
C5 N5 Zn2 109.3(6) . .
C5 N5 H5A 109.8 . .
Zn2 N5 H5A 109.8 . .
C5 N5 H5B 109.8 . .
Zn2 N5 H5B 109.8 . .
H5A N5 H5B 108.3 . .
C6 N6 Zn2 107.4(6) . .
C6 N6 H6A 110.2 . .
Zn2 N6 H6A 110.2 . .
C6 N6 H6B 110.2 . .
Zn2 N6 H6B 110.2 . .
H6A N6 H6B 108.5 . .
C7 N7 Zn2 109.1(6) . .
C7 N7 H7A 109.9 . .
Zn2 N7 H7A 109.9 . .
C7 N7 H7B 109.9 . .
Zn2 N7 H7B 109.9 . .
H7A N7 H7B 108.3 . .
C8 N8 Zn2 108.3(6) . .
C8 N8 H8A 110.0 . .
Zn2 N8 H8A 110.0 . .
C8 N8 H8B 110.0 . .
Zn2 N8 H8B 110.0 . .
H8A N8 H8B 108.4 . .
C9 N9 Zn3 118.1(13) . .
C9 N9 H9A 107.8 . .
Zn3 N9 H9A 107.8 . .
C9 N9 H9B 107.8 . .
Zn3 N9 H9B 107.8 . .
H9A N9 H9B 107.1 . .
C10 N10 Zn3 106.1(13) . .
C10 N10 H10A 110.5 . .
Zn3 N10 H10A 110.5 . .
C10 N10 H10B 110.5 . .
Zn3 N10 H10B 110.5 . .
H10A N10 H10B 108.7 . .
C13 N13 Zn4 104.8(8) . .
C13 N13 H13A 110.8 . .
Zn4 N13 H13A 110.8 . .
C13 N13 H13B 110.8 . .
Zn4 N13 H13B 110.8 . .
H13A N13 H13B 108.9 . .
C14 N14 Zn4 111.5(7) . .
C14 N14 H14A 109.3 . .
Zn4 N14 H14A 109.3 . .
C14 N14 H14B 109.3 . .
Zn4 N14 H14B 109.3 . .
H14A N14 H14B 108.0 . .
C15 N15 Zn4 106.0(9) . .
C15 N15 H15A 110.5 . .
Zn4 N15 H15A 110.5 . .
C15 N15 H15B 110.5 . .
Zn4 N15 H15B 110.5 . .
H15A N15 H15B 108.7 . .
C16 N16 Zn4 104.2(8) . .
C16 N16 H16A 110.9 . .
Zn4 N16 H16A 110.9 . .
C16 N16 H16B 110.9 . .
Zn4 N16 H16B 110.9 . .
H16A N16 H16B 108.9 . .
C12 N12 Zn3 116.0(15) . .
C12 N12 H12A 108.3 . .
Zn3 N12 H12A 108.3 . .
C12 N12 H12B 108.3 . .
Zn3 N12 H12B 108.3 . .
H12A N12 H12B 107.4 . .
C11 N11 Zn3 99.2(17) . .
C11 N11 H11A 111.9 . .
Zn3 N11 H11A 111.9 . .
C11 N11 H11B 111.9 . .
Zn3 N11 H11B 111.9 . .
H11A N11 H11B 109.6 . .
N11 C11 C12 132(3) . .
N11 C11 H11C 104.1 . .
C12 C11 H11C 104.1 . .
N11 C11 H11D 104.1 . .
C12 C11 H11D 104.1 . .
H11C C11 H11D 105.5 . .
N12 C12 C11 84.7(17) . .
N12 C12 H12C 114.5 . .
C11 C12 H12C 114.5 . .
N12 C12 H12D 114.5 . .
C11 C12 H12D 114.5 . .
H12C C12 H12D 111.6 . .
O1W' O1W Zn3 13.9(17) . .
O1W O1W' Zn3 155(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O28 1.609(6) .
V1 O12 1.828(6) .
V1 O3 1.921(5) .
V1 O30 1.929(5) .
V1 O31 2.021(6) .
V1 V13 2.9495(18) .
V1 V11 2.9507(19) .
V2 O5 1.618(6) .
V2 O12 1.810(6) .
V2 O32 1.923(5) .
V2 O35 1.924(5) .
V2 O7 2.003(5) .
V2 V8 2.939(2) .
V2 V7 2.9440(18) .
V3 O20 1.623(6) .
V3 O23 1.818(6) .
V3 O16 1.905(5) .
V3 O8 1.917(5) .
V3 O6 2.039(6) .
V3 V14 2.9716(18) .
V3 V13 2.9760(18) .
V4 O13 1.620(5) .
V4 O35 1.952(5) .
V4 O34 1.964(5) .
V4 O19 1.966(5) .
V4 O30 1.970(5) .
V4 V7 2.9923(17) .
V4 V11 3.0041(18) .
V5 O2 1.612(5) .
V5 O26 1.804(5) .
V5 O34 1.914(5) .
V5 O36 1.920(5) .
V5 O33 2.024(5) .
V5 V11 2.9593(18) .
V5 V14 2.9600(18) .
V6 O18 1.608(5) .
V6 O3 1.963(6) .
V6 O25 1.972(5) .
V6 O32 1.992(6) .
V6 O8 1.994(5) .
V6 V13 3.0149(19) .
V6 V8 3.0247(19) .
V7 O10 1.613(6) .
V7 O27 1.918(5) .
V7 O7 1.926(5) .
V7 O35 1.936(5) .
V7 O19 1.956(5) .
V7 V10 2.9766(17) .
V8 O4 1.634(6) .
V8 O22 1.880(5) .
V8 O7 1.885(5) .
V8 O32 1.931(6) .
V8 O25 1.948(6) .
V8 V9 2.9289(19) .
V9 O17 1.616(5) .
V9 O23 1.819(6) .
V9 O9 1.895(5) .
V9 O25 1.901(5) .
V9 O22 2.037(6) .
V9 V15 2.9447(17) .
V10 O14 1.626(5) .
V10 O26 1.827(5) .
V10 O21 1.900(5) .
V10 O19 1.929(5) .
V10 O27 2.015(5) .
V10 V15 2.9466(17) .
V11 O29 1.604(6) .
V11 O31 1.881(5) .
V11 O33 1.907(5) .
V11 O30 1.932(5) .
V11 O34 1.934(5) .
V12 O24 1.607(5) .
V12 O36 1.963(5) .
V12 O9 1.964(5) .
V12 O16 1.972(5) .
V12 O21 1.977(5) .
V12 V14 3.0011(18) .
V12 V15 3.0104(18) .
V13 O15 1.623(5) .
V13 O31 1.913(5) .
V13 O6 1.917(5) .
V13 O8 1.934(5) .
V13 O3 1.938(5) .
V14 O1 1.627(5) .
V14 O33 1.900(5) .
V14 O6 1.903(5) .
V14 O36 1.936(5) .
V14 O16 1.944(5) .
V15 O11 1.617(5) .
V15 O27 1.877(5) .
V15 O22 1.883(5) .
V15 O9 1.940(5) .
V15 O21 1.941(5) .
Zn1 N2 2.092(8) .
Zn1 N4 2.108(8) .
Zn1 N1 2.111(8) .
Zn1 N3 2.123(8) .
Zn1 O15 2.385(6) 4_645
Zn1 O1 2.391(6) .
Zn2 N5 2.098(7) .
Zn2 N7 2.098(8) .
Zn2 N6 2.103(8) .
Zn2 N8 2.104(7) .
Zn2 O14 2.353(5) .
Zn3 O1W' 1.212(9) .
Zn3 N11 2.05(2) .
Zn3 N9 2.05(2) .
Zn3 N10 2.056(19) .
Zn3 O1W 2.113(19) .
Zn3 N12 2.17(2) .
Zn4 O2W 2.059(8) .
Zn4 N15 2.085(11) .
Zn4 N14 2.089(9) .
Zn4 N16 2.166(11) .
Zn4 N13 2.174(11) .
O15 Zn1 2.385(6) 4_655
C1 N1 1.479(14) .
C1 C2 1.491(15) .
C1 H1C 0.9700 .
C1 H1D 0.9700 .
C2 N2 1.446(14) .
C2 H2C 0.9700 .
C2 H2D 0.9700 .
C3 N3 1.428(12) .
C3 C4 1.477(15) .
C3 H3C 0.9700 .
C3 H3D 0.9700 .
C4 N4 1.497(12) .
C4 H4C 0.9700 .
C4 H4D 0.9700 .
C5 N5 1.437(14) .
C5 C6 1.438(16) .
C5 H5C 0.9700 .
C5 H5D 0.9700 .
C6 N6 1.442(13) .
C6 H6C 0.9700 .
C6 H6D 0.9700 .
C7 N7 1.447(13) .
C7 C8 1.540(16) .
C7 H7C 0.9700 .
C7 H7D 0.9700 .
C8 N8 1.447(14) .
C8 H8C 0.9700 .
C8 H8D 0.9700 .
C9 C10 1.48(3) .
C9 N9 1.63(3) .
C9 H9C 0.9700 .
C9 H9D 0.9700 .
C10 N10 1.74(3) .
C10 H10C 0.9700 .
C10 H10D 0.9700 .
C13 N13 1.428(17) .
C13 C14 1.539(17) .
C13 H13C 0.9700 .
C13 H13D 0.9700 .
C14 N14 1.444(15) .
C14 H14C 0.9700 .
C14 H14D 0.9700 .
C15 C16 1.38(2) .
C15 N15 1.453(18) .
C15 H15C 0.9700 .
C15 H15D 0.9700 .
C16 N16 1.549(19) .
C16 H16C 0.9700 .
C16 H16D 0.9700 .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 H2A 0.9000 .
N2 H2B 0.9000 .
N3 H3A 0.9000 .
N3 H3B 0.9000 .
N4 H4A 0.9000 .
N4 H4B 0.9000 .
N5 H5A 0.9000 .
N5 H5B 0.9000 .
N6 H6A 0.9000 .
N6 H6B 0.9000 .
N7 H7A 0.9000 .
N7 H7B 0.9000 .
N8 H8A 0.9000 .
N8 H8B 0.9000 .
N9 H9A 0.9000 .
N9 H9B 0.9000 .
N10 H10A 0.9000 .
N10 H10B 0.9000 .
N13 H13A 0.9000 .
N13 H13B 0.9000 .
N14 H14A 0.9000 .
N14 H14B 0.9000 .
N15 H15A 0.9000 .
N15 H15B 0.9000 .
N16 H16A 0.9000 .
N16 H16B 0.9000 .
N12 C12 1.559(17) .
N12 H12A 0.9000 .
N12 H12B 0.9000 .
N11 C11 1.468(17) .
N11 H11A 0.9000 .
N11 H11B 0.9000 .
C11 C12 1.570(10) .
C11 H11C 0.9700 .
C11 H11D 0.9700 .
C12 H12C 0.9700 .
C12 H12D 0.9700 .
O1W O1W' 0.95(2) .
