#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/61/7006152.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_7006152
loop_
_publ_author_name
'Champouret, Yohan D. M.'
'Nodes, William J.'
'Scrimshire, Jason A.'
'Singh, Kuldip'
'Solan, Gregory A.'
'Young, Isla'
_publ_section_title
;
 Sterically variable dizinc complexes bearing
 bis(iminopyridyl)phenolate ligands: synthesis, structures and
 reactivity studies.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4565
_journal_page_last               4575
_journal_paper_doi               10.1039/b709385c
_journal_year                    2007
_chemical_formula_moiety         '(C54 H57 Cl3 N6 O3 Zn3)4(C H2 Cl2)'
_chemical_formula_sum            'C58 H65 Cl11 N6 O3 Zn3'
_chemical_formula_weight         1480.22
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.106(5)
_cell_angle_beta                 94.580(6)
_cell_angle_gamma                102.681(5)
_cell_formula_units_Z            2
_cell_length_a                   14.552(5)
_cell_length_b                   15.446(5)
_cell_length_c                   16.558(6)
_cell_measurement_reflns_used    770
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.079
_cell_measurement_theta_min      2.369
_cell_volume                     3253.7(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.1090
_diffrn_reflns_av_sigmaI/netI    0.2653
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23469
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    1.596
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 3865 reflections(SADABS);Rint 0.0722 before
correction and 0.0437 after.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.781
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         11343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.781
_refine_ls_R_factor_all          0.1720
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0661P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1810
_reflns_number_gt                4102
_reflns_number_total             11343
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709385c.txt
_cod_data_source_block           06079
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constrained' was replaced with
the value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006152
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.27910(8) -0.07025(7) 0.22680(7) 0.0420(3) Uani 1 1 d . . .
Zn2 Zn 0.39756(7) 0.15991(7) 0.35528(7) 0.0405(3) Uani 1 1 d . . .
Zn3 Zn 0.72054(8) 0.25439(7) 0.34391(7) 0.0444(3) Uani 1 1 d . . .
Cl1 Cl 0.29810(19) -0.18847(17) 0.09697(16) 0.0579(7) Uani 1 1 d . . .
Cl2 Cl 0.33090(17) 0.15243(16) 0.46894(16) 0.0507(7) Uani 1 1 d . . .
Cl3 Cl 0.84472(17) 0.20841(17) 0.37824(17) 0.0565(7) Uani 1 1 d . . .
O1 O 0.4106(4) 0.0263(4) 0.2759(4) 0.0417(15) Uani 1 1 d . . .
O2 O 0.2328(4) 0.0256(4) 0.1925(4) 0.0454(16) Uani 1 1 d . . .
O3 O 0.5273(4) 0.2452(4) 0.3872(4) 0.0445(16) Uani 1 1 d . . .
N1 N 0.1494(5) -0.1131(4) 0.2692(5) 0.0383(19) Uani 1 1 d . . .
N2 N 0.3246(6) -0.1054(5) 0.3337(5) 0.0400(19) Uani 1 1 d . . .
N3 N 0.6289(5) 0.1742(5) 0.2251(5) 0.0388(19) Uani 1 1 d . . .
N4 N 0.7484(5) 0.3527(5) 0.2879(5) 0.0378(19) Uani 1 1 d . . .
N5 N 0.3310(5) 0.1868(6) 0.2637(5) 0.045(2) Uani 1 1 d . . .
N6 N 0.6796(5) 0.3216(5) 0.4610(5) 0.0410(19) Uani 1 1 d . . .
C1 C 0.0542(7) -0.1199(7) 0.2238(6) 0.048(3) Uani 1 1 d . . .
C2 C 0.0214(8) -0.0343(7) 0.2530(7) 0.056(3) Uani 1 1 d . . .
C3 C -0.0635(8) -0.0407(9) 0.2059(8) 0.061(3) Uani 1 1 d . . .
H3 H -0.0849 0.0170 0.2230 0.074 Uiso 1 1 calc R . .
C4 C -0.1212(10) -0.1289(12) 0.1328(10) 0.109(5) Uani 1 1 d . . .
H4 H -0.1799 -0.1312 0.1013 0.130 Uiso 1 1 calc R . .
C5 C -0.0880(11) -0.2100(9) 0.1103(8) 0.093(4) Uani 1 1 d . . .
H5 H -0.1261 -0.2709 0.0632 0.112 Uiso 1 1 calc R . .
C6 C 0.0011(10) -0.2074(8) 0.1541(8) 0.082(4) Uani 1 1 d . . .
C7 C 0.0353(10) -0.3017(7) 0.1257(8) 0.091(4) Uani 1 1 d . . .
H7 H 0.0991 -0.2848 0.1643 0.109 Uiso 1 1 calc R . .
C8 C 0.0468(11) -0.3443(8) 0.0251(8) 0.126(6) Uani 1 1 d . . .
H8A H -0.0167 -0.3746 -0.0140 0.189 Uiso 1 1 calc R . .
H8B H 0.0820 -0.3942 0.0135 0.189 Uiso 1 1 calc R . .
H8C H 0.0824 -0.2908 0.0127 0.189 Uiso 1 1 calc R . .
C9 C -0.0386(14) -0.3812(9) 0.1432(9) 0.185(9) Uani 1 1 d . . .
H9A H -0.0556 -0.3493 0.2024 0.277 Uiso 1 1 calc R . .
H9B H -0.0094 -0.4332 0.1418 0.277 Uiso 1 1 calc R . .
H9C H -0.0966 -0.4103 0.0963 0.277 Uiso 1 1 calc R . .
C10 C 0.0805(7) 0.0612(6) 0.3340(6) 0.050(3) Uani 1 1 d . . .
H10 H 0.1482 0.0577 0.3426 0.060 Uiso 1 1 calc R . .
C11 C 0.0423(8) 0.0708(7) 0.4192(7) 0.081(4) Uani 1 1 d . . .
H11A H -0.0171 0.0908 0.4185 0.121 Uiso 1 1 calc R . .
H11B H 0.0901 0.1207 0.4720 0.121 Uiso 1 1 calc R . .
H11C H 0.0292 0.0072 0.4219 0.121 Uiso 1 1 calc R . .
C12 C 0.0809(7) 0.1536(7) 0.3170(7) 0.065(3) Uani 1 1 d . . .
H12A H 0.0981 0.1427 0.2582 0.098 Uiso 1 1 calc R . .
H12B H 0.1279 0.2118 0.3644 0.098 Uiso 1 1 calc R . .
H12C H 0.0170 0.1643 0.3176 0.098 Uiso 1 1 calc R . .
C13 C 0.1539(7) -0.1371(6) 0.3343(6) 0.041(2) Uani 1 1 d . . .
C14 C 0.0732(6) -0.1722(6) 0.3714(6) 0.051(3) Uani 1 1 d . . .
H14A H 0.0142 -0.1657 0.3444 0.077 Uiso 1 1 calc R . .
H14B H 0.0857 -0.1326 0.4369 0.077 Uiso 1 1 calc R . .
H14C H 0.0659 -0.2416 0.3576 0.077 Uiso 1 1 calc R . .
C15 C 0.2528(8) -0.1282(6) 0.3739(6) 0.045(3) Uani 1 1 d . . .
C16 C 0.2678(7) -0.1417(6) 0.4516(7) 0.051(3) Uani 1 1 d . . .
H16 H 0.2162 -0.1564 0.4800 0.062 Uiso 1 1 calc R . .
C17 C 0.3623(9) -0.1326(7) 0.4860(7) 0.063(3) Uani 1 1 d . . .
H17 H 0.3757 -0.1413 0.5388 0.075 Uiso 1 1 calc R . .
C18 C 0.4354(8) -0.1114(6) 0.4444(7) 0.053(3) Uani 1 1 d . . .
H18 H 0.4995 -0.1051 0.4680 0.064 Uiso 1 1 calc R . .
C19 C 0.4142(7) -0.0990(6) 0.3651(7) 0.044(3) Uani 1 1 d . . .
C20 C 0.4960(6) -0.0678(6) 0.3250(6) 0.045(2) Uani 1 1 d . . .
C21 C 0.5815(7) -0.0944(7) 0.3307(7) 0.056(3) Uani 1 1 d . . .
H21 H 0.5866 -0.1373 0.3577 0.068 Uiso 1 1 calc R . .
C22 C 0.6579(7) -0.0598(7) 0.2983(6) 0.055(3) Uani 1 1 d . . .
H22 H 0.7154 -0.0784 0.3029 0.067 Uiso 1 1 calc R . .
C23 C 0.6503(7) 0.0043(7) 0.2576(6) 0.052(3) Uani 1 1 d . . .
H23 H 0.7031 0.0296 0.2357 0.062 Uiso 1 1 calc R . .
C24 C 0.5663(7) 0.0289(6) 0.2504(6) 0.041(2) Uani 1 1 d . . .
C25 C 0.4918(7) -0.0026(7) 0.2839(6) 0.043(2) Uani 1 1 d . . .
C26 C 0.5596(7) 0.0885(7) 0.2006(6) 0.048(3) Uani 1 1 d . . .
C27 C 0.4865(8) 0.0551(7) 0.1274(7) 0.053(3) Uani 1 1 d . . .
H27 H 0.4375 -0.0039 0.1125 0.063 Uiso 1 1 calc R . .
C28 C 0.4830(8) 0.1053(8) 0.0758(6) 0.067(3) Uani 1 1 d . . .
H28 H 0.4337 0.0803 0.0243 0.080 Uiso 1 1 calc R . .
C29 C 0.5536(7) 0.1937(7) 0.1008(7) 0.057(3) Uani 1 1 d . . .
H29 H 0.5529 0.2323 0.0685 0.069 Uiso 1 1 calc R . .
C30 C 0.6244(7) 0.2225(6) 0.1746(7) 0.046(3) Uani 1 1 d . . .
C31 C 0.7012(7) 0.3223(7) 0.2099(7) 0.046(3) Uani 1 1 d . . .
C32 C 0.7122(8) 0.3759(7) 0.1496(6) 0.069(3) Uani 1 1 d . . .
H32A H 0.7555 0.4425 0.1841 0.104 Uiso 1 1 calc R . .
H32B H 0.6492 0.3803 0.1285 0.104 Uiso 1 1 calc R . .
H32C H 0.7387 0.3392 0.0977 0.104 Uiso 1 1 calc R . .
C33 C 0.8104(7) 0.4497(6) 0.3359(6) 0.043(2) Uani 1 1 d . . .
C34 C 0.9063(7) 0.4705(6) 0.3350(6) 0.041(2) Uani 1 1 d . . .
C35 C 0.9701(7) 0.5670(7) 0.3842(6) 0.053(3) Uani 1 1 d . . .
H35 H 1.0368 0.5801 0.3829 0.064 Uiso 1 1 calc R . .
C36 C 0.9297(8) 0.6416(7) 0.4345(6) 0.061(3) Uani 1 1 d . . .
H36 H 0.9700 0.7067 0.4697 0.074 Uiso 1 1 calc R . .
C37 C 0.8312(7) 0.6219(7) 0.4339(6) 0.055(3) Uani 1 1 d . . .
H37 H 0.8048 0.6741 0.4668 0.066 Uiso 1 1 calc R . .
C38 C 0.7713(7) 0.5260(7) 0.3853(7) 0.058(3) Uani 1 1 d . . .
C39 C 0.6638(8) 0.5090(7) 0.3894(9) 0.077(4) Uani 1 1 d . . .
H39 H 0.6346 0.4364 0.3670 0.092 Uiso 1 1 calc R . .
C40 C 0.6476(8) 0.5603(8) 0.4859(7) 0.081(4) Uani 1 1 d . . .
H40A H 0.6832 0.5406 0.5251 0.122 Uiso 1 1 calc R . .
H40B H 0.5790 0.5412 0.4869 0.122 Uiso 1 1 calc R . .
H40C H 0.6701 0.6320 0.5075 0.122 Uiso 1 1 calc R . .
C41 C 0.6132(8) 0.5425(10) 0.3269(8) 0.110(5) Uani 1 1 d . . .
H41A H 0.5441 0.5106 0.3129 0.165 Uiso 1 1 calc R . .
H41B H 0.6386 0.5240 0.2710 0.165 Uiso 1 1 calc R . .
H41C H 0.6247 0.6143 0.3570 0.165 Uiso 1 1 calc R . .
C42 C 0.9541(7) 0.3871(6) 0.2832(6) 0.048(3) Uani 1 1 d . . .
H42 H 0.9040 0.3222 0.2586 0.057 Uiso 1 1 calc R . .
C43 C 0.9885(8) 0.4021(8) 0.2041(7) 0.090(4) Uani 1 1 d . . .
H43A H 1.0209 0.4721 0.2239 0.136 Uiso 1 1 calc R . .
H43B H 0.9333 0.3811 0.1558 0.136 Uiso 1 1 calc R . .
H43C H 1.0333 0.3628 0.1817 0.136 Uiso 1 1 calc R . .
C44 C 1.0338(8) 0.3843(7) 0.3442(8) 0.081(4) Uani 1 1 d . . .
H44A H 1.0514 0.3227 0.3141 0.121 Uiso 1 1 calc R . .
H44B H 1.0126 0.3879 0.4000 0.121 Uiso 1 1 calc R . .
H44C H 1.0895 0.4406 0.3586 0.121 Uiso 1 1 calc R . .
C45 C 0.2588(7) 0.1121(7) 0.1950(6) 0.041(2) Uani 1 1 d . . .
C46 C 0.2103(7) 0.1325(7) 0.1296(7) 0.058(3) Uani 1 1 d . . .
H46 H 0.1587 0.0827 0.0845 0.069 Uiso 1 1 calc R . .
C47 C 0.2392(9) 0.2263(8) 0.1321(8) 0.081(4) Uani 1 1 d . . .
H47 H 0.2092 0.2396 0.0870 0.097 Uiso 1 1 calc R . .
C48 C 0.3129(9) 0.3010(8) 0.2021(8) 0.080(4) Uani 1 1 d . . .
H48 H 0.3321 0.3657 0.2059 0.096 Uiso 1 1 calc R . .
C49 C 0.3552(7) 0.2785(7) 0.2629(8) 0.064(3) Uani 1 1 d . . .
H49 H 0.4056 0.3292 0.3089 0.077 Uiso 1 1 calc R . .
C50 C 0.5863(7) 0.3027(6) 0.4643(7) 0.039(2) Uani 1 1 d . . .
C51 C 0.5564(8) 0.3412(7) 0.5464(7) 0.060(3) Uani 1 1 d . . .
H51 H 0.4901 0.3268 0.5491 0.072 Uiso 1 1 calc R . .
C52 C 0.6252(7) 0.4012(7) 0.6244(7) 0.054(3) Uani 1 1 d . . .
H52 H 0.6059 0.4271 0.6810 0.065 Uiso 1 1 calc R . .
C53 C 0.7213(8) 0.4231(7) 0.6200(7) 0.066(3) Uani 1 1 d . . .
H53 H 0.7689 0.4675 0.6719 0.079 Uiso 1 1 calc R . .
C54 C 0.7446(7) 0.3788(7) 0.5388(7) 0.062(3) Uani 1 1 d . . .
H54 H 0.8107 0.3882 0.5358 0.074 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
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
_geom_angle_publ_flag
O2 Zn1 O1 89.4(2) . . ?
O2 Zn1 N1 92.9(2) . . ?
O1 Zn1 N1 140.8(2) . . ?
O2 Zn1 N2 147.0(2) . . ?
O1 Zn1 N2 80.8(3) . . ?
N1 Zn1 N2 76.2(3) . . ?
O2 Zn1 Cl1 106.02(19) . . ?
O1 Zn1 Cl1 103.16(18) . . ?
N1 Zn1 Cl1 113.64(18) . . ?
N2 Zn1 Cl1 106.89(19) . . ?
O3 Zn2 N5 104.9(3) . . ?
O3 Zn2 O1 103.6(2) . . ?
N5 Zn2 O1 99.3(3) . . ?
O3 Zn2 Cl2 116.1(2) . . ?
N5 Zn2 Cl2 121.2(2) . . ?
O1 Zn2 Cl2 109.18(17) . . ?
N6 Zn3 N3 123.7(3) . . ?
N6 Zn3 N4 107.9(3) . . ?
N3 Zn3 N4 80.7(3) . . ?
N6 Zn3 Cl3 105.1(2) . . ?
N3 Zn3 Cl3 121.41(19) . . ?
N4 Zn3 Cl3 115.0(2) . . ?
C25 O1 Zn2 123.7(5) . . ?
C25 O1 Zn1 122.4(5) . . ?
Zn2 O1 Zn1 108.9(3) . . ?
C45 O2 Zn1 143.4(6) . . ?
C50 O3 Zn2 133.2(6) . . ?
C13 N1 C1 119.1(8) . . ?
C13 N1 Zn1 118.3(7) . . ?
C1 N1 Zn1 122.6(6) . . ?
C19 N2 C15 120.4(8) . . ?
C19 N2 Zn1 126.5(6) . . ?
C15 N2 Zn1 112.9(6) . . ?
C30 N3 C26 117.4(8) . . ?
C30 N3 Zn3 113.8(6) . . ?
C26 N3 Zn3 127.2(7) . . ?
C31 N4 C33 122.3(8) . . ?
C31 N4 Zn3 114.8(6) . . ?
C33 N4 Zn3 122.7(6) . . ?
C49 N5 C45 117.4(8) . . ?
C49 N5 Zn2 122.3(7) . . ?
C45 N5 Zn2 120.2(6) . . ?
C50 N6 C54 118.9(8) . . ?
C50 N6 Zn3 119.2(6) . . ?
C54 N6 Zn3 121.6(6) . . ?
C6 C1 C2 121.7(10) . . ?
C6 C1 N1 119.8(10) . . ?
C2 C1 N1 118.5(8) . . ?
C3 C2 C1 117.3(10) . . ?
C3 C2 C10 122.4(10) . . ?
C1 C2 C10 120.3(9) . . ?
C2 C3 C4 123.6(11) . . ?
C2 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
C5 C4 C3 116.4(12) . . ?
C5 C4 H4 121.8 . . ?
C3 C4 H4 121.8 . . ?
C4 C5 C6 122.8(13) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 H5 118.6 . . ?
C1 C6 C5 118.1(12) . . ?
C1 C6 C7 121.3(13) . . ?
C5 C6 C7 120.6(11) . . ?
C6 C7 C8 112.1(10) . . ?
C6 C7 C9 108.8(11) . . ?
C8 C7 C9 110.7(9) . . ?
C6 C7 H7 108.4 . . ?
C8 C7 H7 108.4 . . ?
C9 C7 H7 108.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
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 . . ?
C11 C10 C2 110.4(8) . . ?
C11 C10 C12 110.6(7) . . ?
C2 C10 C12 111.2(8) . . ?
C11 C10 H10 108.2 . . ?
C2 C10 H10 108.2 . . ?
C12 C10 H10 108.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 126.9(9) . . ?
N1 C13 C15 114.2(9) . . ?
C14 C13 C15 118.9(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C16 122.7(9) . . ?
N2 C15 C13 118.1(8) . . ?
C16 C15 C13 119.2(10) . . ?
C15 C16 C17 116.9(10) . . ?
C15 C16 H16 121.6 . . ?
C17 C16 H16 121.6 . . ?
C18 C17 C16 120.8(10) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 119.0(10) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
N2 C19 C18 120.2(9) . . ?
N2 C19 C20 121.3(9) . . ?
C18 C19 C20 118.1(9) . . ?
C21 C20 C25 117.2(9) . . ?
C21 C20 C19 122.4(9) . . ?
C25 C20 C19 120.2(8) . . ?
C22 C21 C20 121.4(9) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C23 119.4(9) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C24 C23 C22 119.3(9) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C25 C24 C23 121.7(9) . . ?
C25 C24 C26 121.3(8) . . ?
C23 C24 C26 116.9(9) . . ?
C24 C25 O1 118.8(8) . . ?
C24 C25 C20 120.9(8) . . ?
O1 C25 C20 120.4(8) . . ?
N3 C26 C27 120.5(9) . . ?
N3 C26 C24 119.0(9) . . ?
C27 C26 C24 120.4(9) . . ?
C28 C27 C26 121.5(10) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C27 C28 C29 118.4(10) . . ?
C27 C28 H28 120.8 . . ?
C29 C28 H28 120.8 . . ?
C30 C29 C28 116.9(10) . . ?
C30 C29 H29 121.6 . . ?
C28 C29 H29 121.6 . . ?
N3 C30 C29 125.3(9) . . ?
N3 C30 C31 114.6(9) . . ?
C29 C30 C31 119.9(9) . . ?
N4 C31 C32 126.2(9) . . ?
N4 C31 C30 115.2(9) . . ?
C32 C31 C30 118.5(9) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C38 119.4(9) . . ?
C34 C33 N4 121.9(8) . . ?
C38 C33 N4 118.6(8) . . ?
C33 C34 C35 122.8(8) . . ?
C33 C34 C42 121.4(8) . . ?
C35 C34 C42 115.7(8) . . ?
C36 C35 C34 116.7(9) . . ?
C36 C35 H35 121.7 . . ?
C34 C35 H35 121.7 . . ?
C37 C36 C35 121.1(9) . . ?
C37 C36 H36 119.4 . . ?
C35 C36 H36 119.4 . . ?
C38 C37 C36 120.3(9) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C37 C38 C33 119.7(9) . . ?
C37 C38 C39 117.6(8) . . ?
C33 C38 C39 122.7(9) . . ?
C40 C39 C41 111.0(8) . . ?
C40 C39 C38 111.8(10) . . ?
C41 C39 C38 110.5(9) . . ?
C40 C39 H39 107.8 . . ?
C41 C39 H39 107.8 . . ?
C38 C39 H39 107.8 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C44 C42 C43 111.8(9) . . ?
C44 C42 C34 111.8(8) . . ?
C43 C42 C34 108.9(7) . . ?
C44 C42 H42 108.1 . . ?
C43 C42 H42 108.1 . . ?
C34 C42 H42 108.1 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O2 C45 N5 120.3(8) . . ?
O2 C45 C46 119.8(9) . . ?
N5 C45 C46 119.8(8) . . ?
C47 C46 C45 119.7(10) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C46 C47 C48 119.6(10) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 H47 120.2 . . ?
C49 C48 C47 118.4(10) . . ?
C49 C48 H48 120.8 . . ?
C47 C48 H48 120.8 . . ?
C48 C49 N5 125.0(10) . . ?
C48 C49 H49 117.5 . . ?
N5 C49 H49 117.5 . . ?
O3 C50 N6 116.0(8) . . ?
O3 C50 C51 123.6(9) . . ?
N6 C50 C51 120.4(10) . . ?
C50 C51 C52 118.9(10) . . ?
C50 C51 H51 120.5 . . ?
C52 C51 H51 120.5 . . ?
C53 C52 C51 120.4(9) . . ?
C53 C52 H52 119.8 . . ?
C51 C52 H52 119.8 . . ?
C54 C53 C52 116.9(10) . . ?
C54 C53 H53 121.5 . . ?
C52 C53 H53 121.5 . . ?
C53 C54 N6 124.3(9) . . ?
C53 C54 H54 117.9 . . ?
N6 C54 H54 117.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O2 2.008(6) . ?
Zn1 O1 2.014(5) . ?
Zn1 N1 2.131(7) . ?
Zn1 N2 2.149(7) . ?
Zn1 Cl1 2.268(2) . ?
Zn2 O3 1.939(6) . ?
Zn2 N5 1.965(8) . ?
Zn2 O1 2.004(5) . ?
Zn2 Cl2 2.217(3) . ?
Zn3 N6 2.000(7) . ?
Zn3 N3 2.012(7) . ?
Zn3 N4 2.067(7) . ?
Zn3 Cl3 2.196(3) . ?
O1 C25 1.368(9) . ?
O2 C45 1.288(9) . ?
O3 C50 1.311(10) . ?
N1 C13 1.276(10) . ?
N1 C1 1.484(11) . ?
N2 C19 1.333(10) . ?
N2 C15 1.341(11) . ?
N3 C30 1.336(10) . ?
N3 C26 1.357(11) . ?
N4 C31 1.258(10) . ?
N4 C33 1.417(10) . ?
N5 C49 1.389(11) . ?
N5 C45 1.391(10) . ?
N6 C50 1.336(10) . ?
N6 C54 1.358(10) . ?
C1 C6 1.371(13) . ?
C1 C2 1.415(12) . ?
C2 C3 1.368(12) . ?
C2 C10 1.535(12) . ?
C3 C4 1.419(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.362(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.419(15) . ?
C5 H5 0.9500 . ?
C6 C7 1.545(15) . ?
C7 C8 1.559(15) . ?
C7 C9 1.584(17) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.521(12) . ?
C10 C12 1.562(11) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.468(11) . ?
C13 C15 1.486(12) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.394(12) . ?
C16 C17 1.400(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.365(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.422(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.491(12) . ?
C20 C21 1.401(11) . ?
C20 C25 1.435(11) . ?
C21 C22 1.372(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.423(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.368(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.344(11) . ?
C24 C26 1.478(12) . ?
C26 C27 1.382(12) . ?
C27 C28 1.373(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(13) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(12) . ?
C29 H29 0.9500 . ?
C30 C31 1.539(12) . ?
C31 C32 1.532(12) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.366(11) . ?
C33 C38 1.401(11) . ?
C34 C35 1.423(12) . ?
C34 C42 1.569(11) . ?
C35 C36 1.400(12) . ?
C35 H35 0.9500 . ?
C36 C37 1.397(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.396(12) . ?
C37 H37 0.9500 . ?
C38 C39 1.541(13) . ?
C39 C40 1.532(14) . ?
C39 C41 1.537(15) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C44 1.495(12) . ?
C42 C43 1.524(12) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.423(11) . ?
C46 C47 1.400(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.411(13) . ?
C47 H47 0.9500 . ?
C48 C49 1.339(13) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.392(12) . ?
C51 C52 1.393(12) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(12) . ?
C52 H52 0.9500 . ?
C53 C54 1.347(12) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Zn2 O1 C25 30.0(7) . . . . ?
N5 Zn2 O1 C25 137.9(7) . . . . ?
Cl2 Zn2 O1 C25 -94.2(6) . . . . ?
O3 Zn2 O1 Zn1 -174.8(3) . . . . ?
N5 Zn2 O1 Zn1 -66.9(3) . . . . ?
Cl2 Zn2 O1 Zn1 60.9(3) . . . . ?
O2 Zn1 O1 C25 -156.2(6) . . . . ?
N1 Zn1 O1 C25 109.9(7) . . . . ?
N2 Zn1 O1 C25 55.4(6) . . . . ?
Cl1 Zn1 O1 C25 -49.9(6) . . . . ?
O2 Zn1 O1 Zn2 48.3(3) . . . . ?
N1 Zn1 O1 Zn2 -45.6(5) . . . . ?
N2 Zn1 O1 Zn2 -100.1(3) . . . . ?
Cl1 Zn1 O1 Zn2 154.6(2) . . . . ?
O1 Zn1 O2 C45 -1.6(9) . . . . ?
N1 Zn1 O2 C45 139.3(9) . . . . ?
N2 Zn1 O2 C45 70.3(11) . . . . ?
Cl1 Zn1 O2 C45 -105.1(9) . . . . ?
N5 Zn2 O3 C50 135.7(7) . . . . ?
O1 Zn2 O3 C50 -120.7(7) . . . . ?
Cl2 Zn2 O3 C50 -1.0(7) . . . . ?
O2 Zn1 N1 C13 -147.3(6) . . . . ?
O1 Zn1 N1 C13 -54.7(7) . . . . ?
N2 Zn1 N1 C13 1.1(6) . . . . ?
Cl1 Zn1 N1 C13 103.8(6) . . . . ?
O2 Zn1 N1 C1 35.2(6) . . . . ?
O1 Zn1 N1 C1 127.8(6) . . . . ?
N2 Zn1 N1 C1 -176.4(6) . . . . ?
Cl1 Zn1 N1 C1 -73.7(6) . . . . ?
O2 Zn1 N2 C19 -105.2(8) . . . . ?
O1 Zn1 N2 C19 -30.9(7) . . . . ?
N1 Zn1 N2 C19 -178.9(7) . . . . ?
Cl1 Zn1 N2 C19 70.2(7) . . . . ?
O2 Zn1 N2 C15 69.5(7) . . . . ?
O1 Zn1 N2 C15 143.9(6) . . . . ?
N1 Zn1 N2 C15 -4.1(5) . . . . ?
Cl1 Zn1 N2 C15 -115.1(5) . . . . ?
N6 Zn3 N3 C30 100.3(6) . . . . ?
N4 Zn3 N3 C30 -5.1(6) . . . . ?
Cl3 Zn3 N3 C30 -118.9(5) . . . . ?
N6 Zn3 N3 C26 -64.8(8) . . . . ?
N4 Zn3 N3 C26 -170.2(7) . . . . ?
Cl3 Zn3 N3 C26 76.0(7) . . . . ?
N6 Zn3 N4 C31 -123.5(6) . . . . ?
N3 Zn3 N4 C31 -0.9(6) . . . . ?
Cl3 Zn3 N4 C31 119.5(6) . . . . ?
N6 Zn3 N4 C33 52.0(7) . . . . ?
N3 Zn3 N4 C33 174.6(6) . . . . ?
Cl3 Zn3 N4 C33 -65.0(6) . . . . ?
O3 Zn2 N5 C49 -30.6(7) . . . . ?
O1 Zn2 N5 C49 -137.5(7) . . . . ?
Cl2 Zn2 N5 C49 103.3(7) . . . . ?
O3 Zn2 N5 C45 147.4(6) . . . . ?
O1 Zn2 N5 C45 40.6(6) . . . . ?
Cl2 Zn2 N5 C45 -78.7(6) . . . . ?
N3 Zn3 N6 C50 9.3(7) . . . . ?
N4 Zn3 N6 C50 100.0(6) . . . . ?
Cl3 Zn3 N6 C50 -136.8(6) . . . . ?
N3 Zn3 N6 C54 -176.8(6) . . . . ?
N4 Zn3 N6 C54 -86.1(7) . . . . ?
Cl3 Zn3 N6 C54 37.1(7) . . . . ?
C13 N1 C1 C6 -86.6(11) . . . . ?
Zn1 N1 C1 C6 90.9(9) . . . . ?
C13 N1 C1 C2 94.6(10) . . . . ?
Zn1 N1 C1 C2 -87.9(9) . . . . ?
C6 C1 C2 C3 -3.3(15) . . . . ?
N1 C1 C2 C3 175.6(8) . . . . ?
C6 C1 C2 C10 177.2(9) . . . . ?
N1 C1 C2 C10 -4.0(13) . . . . ?
C1 C2 C3 C4 2.8(16) . . . . ?
C10 C2 C3 C4 -177.7(10) . . . . ?
C2 C3 C4 C5 -0.1(19) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C2 C1 C6 C5 1.0(16) . . . . ?
N1 C1 C6 C5 -177.8(10) . . . . ?
C2 C1 C6 C7 -177.1(10) . . . . ?
N1 C1 C6 C7 4.1(15) . . . . ?
C4 C5 C6 C1 2(2) . . . . ?
C4 C5 C6 C7 -179.9(13) . . . . ?
C1 C6 C7 C8 -121.5(12) . . . . ?
C5 C6 C7 C8 60.4(16) . . . . ?
C1 C6 C7 C9 115.8(12) . . . . ?
C5 C6 C7 C9 -62.3(15) . . . . ?
C3 C2 C10 C11 83.1(11) . . . . ?
C1 C2 C10 C11 -97.4(11) . . . . ?
C3 C2 C10 C12 -40.1(12) . . . . ?
C1 C2 C10 C12 139.5(9) . . . . ?
C1 N1 C13 C14 0.1(12) . . . . ?
Zn1 N1 C13 C14 -177.5(6) . . . . ?
C1 N1 C13 C15 179.5(7) . . . . ?
Zn1 N1 C13 C15 1.8(9) . . . . ?
C19 N2 C15 C16 3.1(12) . . . . ?
Zn1 N2 C15 C16 -172.0(6) . . . . ?
C19 N2 C15 C13 -178.3(7) . . . . ?
Zn1 N2 C15 C13 6.6(9) . . . . ?
N1 C13 C15 N2 -5.8(11) . . . . ?
C14 C13 C15 N2 173.6(7) . . . . ?
N1 C13 C15 C16 172.9(7) . . . . ?
C14 C13 C15 C16 -7.7(12) . . . . ?
N2 C15 C16 C17 -1.5(13) . . . . ?
C13 C15 C16 C17 179.9(7) . . . . ?
C15 C16 C17 C18 0.1(13) . . . . ?
C16 C17 C18 C19 -0.2(14) . . . . ?
C15 N2 C19 C18 -3.2(12) . . . . ?
Zn1 N2 C19 C18 171.2(6) . . . . ?
C15 N2 C19 C20 -176.3(7) . . . . ?
Zn1 N2 C19 C20 -1.9(12) . . . . ?
C17 C18 C19 N2 1.8(13) . . . . ?
C17 C18 C19 C20 175.1(8) . . . . ?
N2 C19 C20 C21 -155.4(8) . . . . ?
C18 C19 C20 C21 31.4(12) . . . . ?
N2 C19 C20 C25 29.0(13) . . . . ?
C18 C19 C20 C25 -144.2(8) . . . . ?
C25 C20 C21 C22 -0.1(14) . . . . ?
C19 C20 C21 C22 -175.9(9) . . . . ?
C20 C21 C22 C23 -0.2(14) . . . . ?
C21 C22 C23 C24 -1.0(14) . . . . ?
C22 C23 C24 C25 2.7(14) . . . . ?
C22 C23 C24 C26 -174.8(8) . . . . ?
C23 C24 C25 O1 178.8(8) . . . . ?
C26 C24 C25 O1 -3.8(13) . . . . ?
C23 C24 C25 C20 -3.1(14) . . . . ?
C26 C24 C25 C20 174.3(8) . . . . ?
Zn2 O1 C25 C24 -78.3(9) . . . . ?
Zn1 O1 C25 C24 129.8(7) . . . . ?
Zn2 O1 C25 C20 103.6(8) . . . . ?
Zn1 O1 C25 C20 -48.3(10) . . . . ?
C21 C20 C25 C24 1.8(13) . . . . ?
C19 C20 C25 C24 177.6(8) . . . . ?
C21 C20 C25 O1 179.9(8) . . . . ?
C19 C20 C25 O1 -4.3(12) . . . . ?
C30 N3 C26 C27 -1.7(12) . . . . ?
Zn3 N3 C26 C27 162.9(6) . . . . ?
C30 N3 C26 C24 175.3(7) . . . . ?
Zn3 N3 C26 C24 -20.1(11) . . . . ?
C25 C24 C26 N3 129.0(9) . . . . ?
C23 C24 C26 N3 -53.4(11) . . . . ?
C25 C24 C26 C27 -54.0(12) . . . . ?
C23 C24 C26 C27 123.5(10) . . . . ?
N3 C26 C27 C28 2.1(14) . . . . ?
C24 C26 C27 C28 -174.8(8) . . . . ?
C26 C27 C28 C29 -2.4(14) . . . . ?
C27 C28 C29 C30 2.3(13) . . . . ?
C26 N3 C30 C29 1.8(13) . . . . ?
Zn3 N3 C30 C29 -164.9(7) . . . . ?
C26 N3 C30 C31 176.2(7) . . . . ?
Zn3 N3 C30 C31 9.5(9) . . . . ?
C28 C29 C30 N3 -2.1(14) . . . . ?
C28 C29 C30 C31 -176.2(8) . . . . ?
C33 N4 C31 C32 9.2(13) . . . . ?
Zn3 N4 C31 C32 -175.3(7) . . . . ?
C33 N4 C31 C30 -169.5(7) . . . . ?
Zn3 N4 C31 C30 6.0(9) . . . . ?
N3 C30 C31 N4 -10.5(11) . . . . ?
C29 C30 C31 N4 164.2(8) . . . . ?
N3 C30 C31 C32 170.7(7) . . . . ?
C29 C30 C31 C32 -14.6(12) . . . . ?
C31 N4 C33 C34 -94.7(11) . . . . ?
Zn3 N4 C33 C34 90.1(9) . . . . ?
C31 N4 C33 C38 85.0(11) . . . . ?
Zn3 N4 C33 C38 -90.2(9) . . . . ?
C38 C33 C34 C35 1.6(14) . . . . ?
N4 C33 C34 C35 -178.7(8) . . . . ?
C38 C33 C34 C42 178.0(8) . . . . ?
N4 C33 C34 C42 -2.3(13) . . . . ?
C33 C34 C35 C36 -0.3(13) . . . . ?
C42 C34 C35 C36 -176.8(8) . . . . ?
C34 C35 C36 C37 -1.7(14) . . . . ?
C35 C36 C37 C38 2.4(15) . . . . ?
C36 C37 C38 C33 -1.0(15) . . . . ?
C36 C37 C38 C39 178.6(10) . . . . ?
C34 C33 C38 C37 -1.0(14) . . . . ?
N4 C33 C38 C37 179.3(9) . . . . ?
C34 C33 C38 C39 179.5(10) . . . . ?
N4 C33 C38 C39 -0.2(15) . . . . ?
C37 C38 C39 C40 -45.8(13) . . . . ?
C33 C38 C39 C40 133.8(10) . . . . ?
C37 C38 C39 C41 78.4(13) . . . . ?
C33 C38 C39 C41 -102.1(11) . . . . ?
C33 C34 C42 C44 -123.0(10) . . . . ?
C35 C34 C42 C44 53.6(10) . . . . ?
C33 C34 C42 C43 113.0(10) . . . . ?
C35 C34 C42 C43 -70.4(10) . . . . ?
Zn1 O2 C45 N5 -28.8(14) . . . . ?
Zn1 O2 C45 C46 154.3(7) . . . . ?
C49 N5 C45 O2 -179.5(8) . . . . ?
Zn2 N5 C45 O2 2.3(10) . . . . ?
C49 N5 C45 C46 -2.6(12) . . . . ?
Zn2 N5 C45 C46 179.3(6) . . . . ?
O2 C45 C46 C47 -179.6(9) . . . . ?
N5 C45 C46 C47 3.4(14) . . . . ?
C45 C46 C47 C48 -3.1(16) . . . . ?
C46 C47 C48 C49 1.9(17) . . . . ?
C47 C48 C49 N5 -1.2(17) . . . . ?
C45 N5 C49 C48 1.5(14) . . . . ?
Zn2 N5 C49 C48 179.6(9) . . . . ?
Zn2 O3 C50 N6 155.7(6) . . . . ?
Zn2 O3 C50 C51 -22.8(12) . . . . ?
C54 N6 C50 O3 -178.6(7) . . . . ?
Zn3 N6 C50 O3 -4.6(10) . . . . ?
C54 N6 C50 C51 0.0(12) . . . . ?
Zn3 N6 C50 C51 174.0(6) . . . . ?
O3 C50 C51 C52 179.7(8) . . . . ?
N6 C50 C51 C52 1.3(13) . . . . ?
C50 C51 C52 C53 1.0(14) . . . . ?
C51 C52 C53 C54 -4.3(15) . . . . ?
C52 C53 C54 N6 5.9(16) . . . . ?
C50 N6 C54 C53 -3.8(14) . . . . ?
Zn3 N6 C54 C53 -177.7(8) . . . . ?
