#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:32:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180439 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/08/7210855.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_7210855
loop_
_publ_author_name
'Liu, Lu'
'Huang, Chao'
'Wang, Zhengchuang'
'Wu, Dongqing'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible
 bis(methylbenzimidazole) ligand and different dicarboxylates
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              7095
_journal_paper_doi               10.1039/c3ce40823j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C72 H68 N8 O12 S2 Zn2'
_chemical_formula_sum            'C72 H68 N8 O12 S2 Zn2'
_chemical_formula_weight         1432.20
_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                97.91(3)
_cell_angle_beta                 95.29(3)
_cell_angle_gamma                95.71(3)
_cell_formula_units_Z            2
_cell_length_a                   14.083(3)
_cell_length_b                   14.906(3)
_cell_length_c                   16.326(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3358.2(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0730
_diffrn_reflns_av_sigmaI/netI    0.1229
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_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            25839
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.8358
_exptl_absorpt_correction_T_min  0.7976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.977
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     869
_refine_ls_number_reflns         12227
_refine_ls_number_restraints     153
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.1506
_refine_ls_R_factor_gt           0.0950
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1638P)²+2.1901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2391
_refine_ls_wR_factor_ref         0.2903
_reflns_number_gt                7329
_reflns_number_total             12227
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40823j.txt
_cod_data_source_block           complex7
_cod_database_code               7210855
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
Zn1 Zn 0.29441(6) 0.39015(5) 0.54901(5) 0.0397(3) Uani 1 1 d .
Zn2 Zn 0.62418(6) -0.26922(6) 0.93714(5) 0.0465(3) Uani 1 1 d .
S1 S 0.78308(14) 0.08855(13) 0.58655(13) 0.0494(5) Uani 1 1 d .
S2 S -0.06533(16) 0.25865(14) 0.92380(14) 0.0539(5) Uani 1 1 d .
O1 O 0.7871(4) 0.0457(4) 0.5024(4) 0.0643(16) Uani 1 1 d .
O2 O 0.8624(4) 0.1491(4) 0.6268(4) 0.0655(16) Uani 1 1 d .
O3 O 0.4306(4) 0.3627(3) 0.5558(4) 0.0544(14) Uani 1 1 d .
O4 O 0.3479(4) 0.2319(4) 0.5619(4) 0.0617(15) Uani 1 1 d .
O5 O 0.1993(4) 0.3669(4) 0.6256(3) 0.0558(14) Uani 1 1 d .
O6 O 0.3166(4) 0.3857(4) 0.7297(4) 0.0680(17) Uani 1 1 d .
O7 O -0.1230(4) 0.1756(4) 0.8897(4) 0.0696(18) Uani 1 1 d .
O8 O -0.0205(5) 0.2682(4) 1.0082(4) 0.0672(16) Uani 1 1 d .
O9 O -0.2925(5) 0.6347(4) 0.9104(4) 0.0675(16) Uani 1 1 d .
O10 O -0.3761(5) 0.5627(4) 0.9950(4) 0.0784(19) Uani 1 1 d .
O11 O 0.6648(4) -0.1721(4) 0.8735(3) 0.0599(15) Uani 1 1 d .
O12 O 0.6124(5) -0.2693(4) 0.7599(4) 0.0647(16) Uani 1 1 d .
N1 N 0.3021(4) 0.5292(4) 0.5548(4) 0.0401(14) Uani 1 1 d .
N2 N 0.3408(5) 0.6759(4) 0.5993(4) 0.0496(16) Uani 1 1 d .
N3 N 0.2162(4) 0.3286(4) 0.4411(4) 0.0389(13) Uani 1 1 d .
N4 N 0.1465(5) 0.2926(5) 0.3116(4) 0.0509(16) Uani 1 1 d .
N5 N 0.3028(6) 1.1528(5) 0.8123(4) 0.0586(18) Uani 1 1 d .
N6 N 0.3232(4) 1.2043(4) 0.9466(4) 0.0449(15) Uani 1 1 d .
N7 N -0.4800(4) 0.2852(4) 0.0769(4) 0.0469(15) Uani 1 1 d .
N8 N -0.3292(5) 0.3340(5) 0.1211(5) 0.066(2) Uani 1 1 d U
C1 C 0.0947(6) 0.6975(6) 0.5092(6) 0.065(2) Uani 1 1 d .
H1 H 0.0500 0.7379 0.5003 0.078 Uiso 1 1 calc R
C2 C 0.1817(6) 0.7294(6) 0.5518(6) 0.066(3) Uani 1 1 d .
H2 H 0.1973 0.7912 0.5714 0.079 Uiso 1 1 calc R
C3 C 0.2465(5) 0.6674(5) 0.5653(5) 0.0438(17) Uani 1 1 d .
C4 C 0.2231(5) 0.5745(5) 0.5359(5) 0.0437(17) Uani 1 1 d .
C5 C 0.1347(6) 0.5438(6) 0.4922(5) 0.057(2) Uani 1 1 d .
H5 H 0.1185 0.4822 0.4721 0.069 Uiso 1 1 calc R
C6 C 0.0714(6) 0.6054(7) 0.4788(6) 0.066(2) Uani 1 1 d .
H6 H 0.0119 0.5854 0.4489 0.079 Uiso 1 1 calc R
C7 C 0.3704(5) 0.5913(5) 0.5927(5) 0.0454(18) Uani 1 1 d .
C8 C 0.4703(6) 0.5759(6) 0.6220(5) 0.061(2) Uani 1 1 d .
H8A H 0.4722 0.5126 0.6271 0.091 Uiso 1 1 calc R
H8B H 0.4900 0.6124 0.6752 0.091 Uiso 1 1 calc R
H8C H 0.5129 0.5927 0.5827 0.091 Uiso 1 1 calc R
C9 C 0.3980(7) 0.7647(6) 0.6268(6) 0.067(2) Uani 1 1 d U
H9A H 0.3798 0.8068 0.5894 0.081 Uiso 1 1 calc R
H9B H 0.4653 0.7576 0.6231 0.081 Uiso 1 1 calc R
C10 C 0.3862(8) 0.8036(7) 0.7112(7) 0.089(3) Uani 1 1 d U
H10A H 0.4142 0.7667 0.7495 0.107 Uiso 1 1 calc R
H10B H 0.3183 0.8017 0.7174 0.107 Uiso 1 1 calc R
C11 C 0.4340(8) 0.9042(7) 0.7346(8) 0.095(3) Uani 1 1 d U
H11A H 0.4659 0.9129 0.7908 0.115 Uiso 1 1 calc R
H11B H 0.4821 0.9160 0.6974 0.115 Uiso 1 1 calc R
C12 C 0.3621(9) 0.9693(7) 0.7291(8) 0.105(3) Uani 1 1 d DU
H12A H 0.3149 0.9460 0.6819 0.126 Uiso 1 1 calc R
H12B H 0.3289 0.9722 0.7787 0.126 Uiso 1 1 calc R
C13 C 0.3995(10) 1.0596(7) 0.7204(8) 0.110(3) Uani 1 1 d DU
H13A H 0.4252 1.0580 0.6672 0.132 Uiso 1 1 calc R
H13B H 0.4524 1.0802 0.7635 0.132 Uiso 1 1 calc R
C14 C 0.3233(9) 1.1321(8) 0.7261(7) 0.093(3) Uani 1 1 d U
H14A H 0.3488 1.1874 0.7068 0.111 Uiso 1 1 calc R
H14B H 0.2646 1.1074 0.6909 0.111 Uiso 1 1 calc R
C15 C 0.2233(6) 1.1161(5) 0.8454(5) 0.056(2) Uani 1 1 d .
C16 C 0.1416(8) 1.0610(7) 0.8097(7) 0.085(3) Uani 1 1 d .
H16 H 0.1339 1.0357 0.7538 0.102 Uiso 1 1 calc R
C17 C 0.0728(8) 1.0457(7) 0.8610(10) 0.099(4) Uani 1 1 d .
H17 H 0.0144 1.0133 0.8379 0.119 Uiso 1 1 calc R
C18 C 0.0849(8) 1.0750(7) 0.9441(8) 0.087(3) Uani 1 1 d .
H18 H 0.0361 1.0602 0.9762 0.104 Uiso 1 1 calc R
C19 C 0.1681(6) 1.1264(6) 0.9818(6) 0.060(2) Uani 1 1 d .
H19 H 0.1772 1.1452 1.0390 0.071 Uiso 1 1 calc R
C20 C 0.2378(6) 1.1490(5) 0.9307(5) 0.0510(19) Uani 1 1 d .
C21 C 0.3596(6) 1.2050(5) 0.8744(5) 0.0487(19) Uani 1 1 d .
C22 C 0.4486(7) 1.2617(6) 0.8614(6) 0.072(3) Uani 1 1 d .
H22A H 0.4718 1.3022 0.9117 0.109 Uiso 1 1 calc R
H22B H 0.4347 1.2966 0.8175 0.109 Uiso 1 1 calc R
H22C H 0.4966 1.2228 0.8466 0.109 Uiso 1 1 calc R
C23 C 0.2339(6) 0.3644(5) 0.7010(5) 0.0445(17) Uani 1 1 d .
C24 C 0.1596(5) 0.3315(5) 0.7558(4) 0.0432(17) Uani 1 1 d .
C25 C 0.1838(5) 0.3409(5) 0.8408(4) 0.0447(17) Uani 1 1 d .
H25 H 0.2460 0.3635 0.8636 0.054 Uiso 1 1 calc R
C26 C 0.1154(6) 0.3167(5) 0.8924(4) 0.0453(18) Uani 1 1 d .
H26 H 0.1317 0.3227 0.9496 0.054 Uiso 1 1 calc R
C27 C 0.0225(5) 0.2835(5) 0.8579(5) 0.0452(17) Uani 1 1 d .
C28 C 0.0002(6) 0.2722(6) 0.7751(5) 0.053(2) Uani 1 1 d .
H28 H -0.0616 0.2480 0.7524 0.064 Uiso 1 1 calc R
C29 C 0.0675(6) 0.2959(6) 0.7231(5) 0.054(2) Uani 1 1 d .
H29 H 0.0507 0.2879 0.6659 0.064 Uiso 1 1 calc R
C30 C -0.1383(6) 0.3474(5) 0.9197(5) 0.054(2) Uani 1 1 d .
C31 C -0.2368(6) 0.3309(6) 0.9205(6) 0.070(3) Uani 1 1 d .
H31 H -0.2659 0.2713 0.9144 0.084 Uiso 1 1 calc R
C32 C -0.2915(6) 0.4019(6) 0.9301(7) 0.070(3) Uani 1 1 d .
H32 H -0.3569 0.3903 0.9340 0.085 Uiso 1 1 calc R
C33 C -0.2501(6) 0.4906(5) 0.9342(5) 0.052(2) Uani 1 1 d .
C34 C -0.1526(6) 0.5083(5) 0.9286(6) 0.057(2) Uani 1 1 d .
H34 H -0.1250 0.5677 0.9288 0.069 Uiso 1 1 calc R
C35 C -0.0973(6) 0.4377(6) 0.9229(6) 0.062(2) Uani 1 1 d .
H35 H -0.0315 0.4498 0.9211 0.075 Uiso 1 1 calc R
C36 C -0.3119(7) 0.5689(6) 0.9479(5) 0.059(2) Uani 1 1 d .
C37 C 0.2709(6) 0.4281(6) 0.3399(5) 0.058(2) Uani 1 1 d .
H37A H 0.3099 0.4618 0.3877 0.087 Uiso 1 1 calc R
H37B H 0.2294 0.4672 0.3161 0.087 Uiso 1 1 calc R
H37C H 0.3115 0.4055 0.2994 0.087 Uiso 1 1 calc R
C38 C 0.2125(5) 0.3508(5) 0.3650(4) 0.0420(17) Uani 1 1 d .
C39 C 0.1514(5) 0.2494(4) 0.4369(4) 0.0376(16) Uani 1 1 d .
C40 C 0.1268(6) 0.1962(5) 0.4953(5) 0.0506(19) Uani 1 1 d .
H40 H 0.1552 0.2106 0.5499 0.061 Uiso 1 1 calc R
C41 C 0.0598(6) 0.1216(5) 0.4727(6) 0.059(2) Uani 1 1 d .
H41 H 0.0436 0.0841 0.5116 0.071 Uiso 1 1 calc R
C42 C 0.0164(8) 0.1021(7) 0.3913(8) 0.087(3) Uani 1 1 d .
H42 H -0.0293 0.0515 0.3772 0.105 Uiso 1 1 calc R
C43 C 0.0374(6) 0.1530(6) 0.3318(6) 0.065(2) Uani 1 1 d .
H43 H 0.0076 0.1377 0.2777 0.079 Uiso 1 1 calc R
C44 C 0.1047(5) 0.2289(5) 0.3538(5) 0.0479(19) Uani 1 1 d .
C45 C 0.1181(8) 0.3011(9) 0.2240(6) 0.090(3) Uani 1 1 d U
H45A H 0.1667 0.3417 0.2050 0.108 Uiso 1 1 calc R
H45B H 0.1153 0.2417 0.1904 0.108 Uiso 1 1 calc R
C46 C 0.0282(9) 0.3347(10) 0.2121(8) 0.116(3) Uani 1 1 d DU
H46A H -0.0176 0.2804 0.1993 0.139 Uiso 1 1 calc R
H46B H 0.0300 0.3601 0.1606 0.139 Uiso 1 1 calc R
C47 C -0.0184(10) 0.3970(9) 0.2637(8) 0.116(3) Uani 1 1 d DU
H47A H 0.0329 0.4441 0.2878 0.140 Uiso 1 1 calc R
H47B H -0.0341 0.3641 0.3089 0.140 Uiso 1 1 calc R
C48 C -0.0995(9) 0.4468(8) 0.2503(8) 0.105(3) Uani 1 1 d U
H48A H -0.0884 0.4812 0.2052 0.125 Uiso 1 1 calc R
H48B H -0.1008 0.4906 0.2999 0.125 Uiso 1 1 calc R
C49 C -0.1998(9) 0.3928(8) 0.2300(8) 0.105(3) Uani 1 1 d U
H49A H -0.1955 0.3291 0.2346 0.126 Uiso 1 1 calc R
H49B H -0.2420 0.4159 0.2696 0.126 Uiso 1 1 calc R
C50 C -0.2400(8) 0.4009(7) 0.1448(7) 0.089(3) Uani 1 1 d U
H50A H -0.1932 0.3881 0.1061 0.107 Uiso 1 1 calc R
H50B H -0.2558 0.4625 0.1426 0.107 Uiso 1 1 calc R
C51 C -0.4500(7) 0.4452(5) 0.1489(6) 0.064(2) Uani 1 1 d .
H51A H -0.4407 0.4865 0.1094 0.096 Uiso 1 1 calc R
H51B H -0.4115 0.4691 0.2003 0.096 Uiso 1 1 calc R
H51C H -0.5165 0.4382 0.1583 0.096 Uiso 1 1 calc R
C52 C -0.4215(6) 0.3560(5) 0.1162(5) 0.0497(19) Uani 1 1 d .
C53 C -0.3289(6) 0.2457(6) 0.0847(6) 0.058(2) Uani 1 1 d .
C54 C -0.2547(7) 0.1918(7) 0.0751(7) 0.082(3) Uani 1 1 d .
H54 H -0.1919 0.2135 0.0969 0.098 Uiso 1 1 calc R
C55 C -0.2771(8) 0.1061(6) 0.0327(8) 0.084(3) Uani 1 1 d .
H55 H -0.2290 0.0684 0.0246 0.101 Uiso 1 1 calc R
C56 C -0.3717(8) 0.0742(6) 0.0013(7) 0.080(3) Uani 1 1 d .
H56 H -0.3856 0.0155 -0.0278 0.096 Uiso 1 1 calc R
C57 C -0.4450(7) 0.1282(6) 0.0127(6) 0.067(2) Uani 1 1 d .
H57 H -0.5076 0.1068 -0.0095 0.080 Uiso 1 1 calc R
C58 C -0.4238(6) 0.2145(5) 0.0575(5) 0.0480(19) Uani 1 1 d .
C59 C 0.4250(6) 0.2806(5) 0.5636(5) 0.0461(18) Uani 1 1 d .
C60 C 0.5168(5) 0.2366(5) 0.5736(5) 0.0439(17) Uani 1 1 d .
C61 C 0.6033(5) 0.2851(5) 0.6002(5) 0.051(2) Uani 1 1 d .
H61 H 0.6073 0.3481 0.6138 0.061 Uiso 1 1 calc R
C62 C 0.6870(6) 0.2416(5) 0.6076(6) 0.058(2) Uani 1 1 d .
H62 H 0.7462 0.2749 0.6266 0.070 Uiso 1 1 calc R
C63 C 0.6793(6) 0.1484(5) 0.5860(5) 0.0489(19) Uani 1 1 d .
C64 C 0.5919(7) 0.0996(6) 0.5582(7) 0.073(3) Uani 1 1 d .
H64 H 0.5879 0.0367 0.5432 0.087 Uiso 1 1 calc R
C65 C 0.5084(6) 0.1432(5) 0.5521(6) 0.070(3) Uani 1 1 d .
H65 H 0.4489 0.1100 0.5341 0.084 Uiso 1 1 calc R
C66 C 0.7530(5) 0.0047(5) 0.6486(5) 0.0408(16) Uani 1 1 d .
C67 C 0.7649(6) 0.0241(5) 0.7329(5) 0.053(2) Uani 1 1 d .
H67 H 0.7942 0.0810 0.7585 0.064 Uiso 1 1 calc R
C68 C 0.7336(6) -0.0405(5) 0.7810(5) 0.0513(19) Uani 1 1 d .
H68 H 0.7423 -0.0265 0.8387 0.062 Uiso 1 1 calc R
C69 C 0.6901(5) -0.1247(5) 0.7444(4) 0.0416(17) Uani 1 1 d .
C70 C 0.6791(5) -0.1464(5) 0.6567(4) 0.0411(16) Uani 1 1 d .
H70 H 0.6496 -0.2032 0.6311 0.049 Uiso 1 1 calc R
C71 C 0.7125(5) -0.0823(5) 0.6093(5) 0.0467(18) Uani 1 1 d .
H71 H 0.7083 -0.0968 0.5517 0.056 Uiso 1 1 calc R
C72 C 0.6517(5) -0.1954(5) 0.7938(5) 0.0438(17) Uani 1 1 d .
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'
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
O5 Zn1 O3 128.1(2) . .
O5 Zn1 N3 98.5(2) . .
O3 Zn1 N3 112.6(2) . .
O5 Zn1 N1 101.8(2) . .
O3 Zn1 N1 105.0(2) . .
N3 Zn1 N1 109.6(2) . .
O11 Zn2 O9 105.2(3) . 1_645
O11 Zn2 N7 106.7(3) . 2_556
O9 Zn2 N7 125.9(3) 1_645 2_556
O11 Zn2 N6 98.3(2) . 2_667
O9 Zn2 N6 105.8(3) 1_645 2_667
N7 Zn2 N6 111.3(2) 2_556 2_667
O2 S1 O1 118.9(4) . .
O2 S1 C66 110.0(4) . .
O1 S1 C66 109.4(3) . .
O2 S1 C63 108.3(4) . .
O1 S1 C63 107.1(4) . .
C66 S1 C63 101.7(4) . .
O7 S2 O8 118.7(4) . .
O7 S2 C27 109.9(4) . .
O8 S2 C27 109.2(4) . .
O7 S2 C30 107.5(4) . .
O8 S2 C30 106.8(4) . .
C27 S2 C30 103.7(4) . .
C59 O3 Zn1 103.9(5) . .
C23 O5 Zn1 115.2(5) . .
C36 O9 Zn2 110.9(6) . 1_465
C72 O11 Zn2 114.4(5) . .
C7 N1 C4 106.8(6) . .
C7 N1 Zn1 128.3(5) . .
C4 N1 Zn1 123.2(5) . .
C7 N2 C3 108.2(6) . .
C7 N2 C9 128.6(7) . .
C3 N2 C9 122.8(7) . .
C38 N3 C39 106.7(6) . .
C38 N3 Zn1 130.7(5) . .
C39 N3 Zn1 122.6(5) . .
C38 N4 C44 109.2(6) . .
C38 N4 C45 125.9(8) . .
C44 N4 C45 124.8(8) . .
C21 N5 C15 107.7(6) . .
C21 N5 C14 126.6(9) . .
C15 N5 C14 125.6(8) . .
C21 N6 C20 106.8(7) . .
C21 N6 Zn2 130.2(5) . 2_667
C20 N6 Zn2 123.0(5) . 2_667
C52 N7 C58 107.1(6) . .
C52 N7 Zn2 128.3(5) . 2_556
C58 N7 Zn2 123.8(5) . 2_556
C53 N8 C52 109.3(7) . .
C53 N8 C50 123.9(8) . .
C52 N8 C50 125.5(7) . .
C2 C1 C6 121.2(8) . .
C2 C1 H1 119.4 . .
C6 C1 H1 119.4 . .
C1 C2 C3 118.2(8) . .
C1 C2 H2 120.9 . .
C3 C2 H2 120.9 . .
C2 C3 C4 120.9(7) . .
C2 C3 N2 133.7(7) . .
C4 C3 N2 105.1(6) . .
C5 C4 C3 119.8(7) . .
C5 C4 N1 131.4(7) . .
C3 C4 N1 108.7(6) . .
C4 C5 C6 118.9(8) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
C1 C6 C5 121.0(8) . .
C1 C6 H6 119.5 . .
C5 C6 H6 119.5 . .
N1 C7 N2 111.1(7) . .
N1 C7 C8 126.5(7) . .
N2 C7 C8 122.3(7) . .
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 . .
N2 C9 C10 113.4(8) . .
N2 C9 H9A 108.9 . .
C10 C9 H9A 108.9 . .
N2 C9 H9B 108.9 . .
C10 C9 H9B 108.9 . .
H9A C9 H9B 107.7 . .
C9 C10 C11 112.7(10) . .
C9 C10 H10A 109.0 . .
C11 C10 H10A 109.0 . .
C9 C10 H10B 109.0 . .
C11 C10 H10B 109.0 . .
H10A C10 H10B 107.8 . .
C12 C11 C10 111.2(10) . .
C12 C11 H11A 109.4 . .
C10 C11 H11A 109.4 . .
C12 C11 H11B 109.4 . .
C10 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C13 C12 C11 115.2(11) . .
C13 C12 H12A 108.5 . .
C11 C12 H12A 108.5 . .
C13 C12 H12B 108.5 . .
C11 C12 H12B 108.5 . .
H12A C12 H12B 107.5 . .
C12 C13 C14 114.5(11) . .
C12 C13 H13A 108.6 . .
C14 C13 H13A 108.6 . .
C12 C13 H13B 108.6 . .
C14 C13 H13B 108.6 . .
H13A C13 H13B 107.6 . .
N5 C14 C13 109.2(9) . .
N5 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
N5 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.3 . .
N5 C15 C16 132.4(9) . .
N5 C15 C20 105.7(7) . .
C16 C15 C20 122.0(10) . .
C17 C16 C15 116.1(10) . .
C17 C16 H16 122.0 . .
C15 C16 H16 122.0 . .
C16 C17 C18 123.4(10) . .
C16 C17 H17 118.3 . .
C18 C17 H17 118.3 . .
C19 C18 C17 121.3(11) . .
C19 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C18 C19 C20 117.1(9) . .
C18 C19 H19 121.5 . .
C20 C19 H19 121.5 . .
N6 C20 C15 108.3(7) . .
N6 C20 C19 131.8(8) . .
C15 C20 C19 119.9(8) . .
N6 C21 N5 111.6(7) . .
N6 C21 C22 125.1(8) . .
N5 C21 C22 123.1(7) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O6 C23 O5 126.1(7) . .
O6 C23 C24 120.0(7) . .
O5 C23 C24 113.9(7) . .
C25 C24 C29 119.0(7) . .
C25 C24 C23 119.2(7) . .
C29 C24 C23 121.7(6) . .
C24 C25 C26 120.1(7) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C27 C26 C25 119.5(7) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C28 C27 C26 120.0(7) . .
C28 C27 S2 120.6(6) . .
C26 C27 S2 119.3(6) . .
C27 C28 C29 121.0(7) . .
C27 C28 H28 119.5 . .
C29 C28 H28 119.5 . .
C28 C29 C24 120.2(7) . .
C28 C29 H29 119.9 . .
C24 C29 H29 119.9 . .
C31 C30 C35 118.4(8) . .
C31 C30 S2 120.8(6) . .
C35 C30 S2 120.6(7) . .
C30 C31 C32 120.5(8) . .
C30 C31 H31 119.7 . .
C32 C31 H31 119.7 . .
C33 C32 C31 120.4(8) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C34 C33 C32 120.0(8) . .
C34 C33 C36 120.4(7) . .
C32 C33 C36 119.5(8) . .
C33 C34 C35 119.4(8) . .
C33 C34 H34 120.3 . .
C35 C34 H34 120.3 . .
C30 C35 C34 121.0(8) . .
C30 C35 H35 119.5 . .
C34 C35 H35 119.5 . .
O10 C36 O9 125.4(9) . .
O10 C36 C33 118.5(8) . .
O9 C36 C33 116.1(8) . .
C38 C37 H37A 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C38 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N3 C38 N4 111.2(7) . .
N3 C38 C37 125.5(7) . .
N4 C38 C37 123.4(7) . .
C40 C39 N3 132.4(7) . .
C40 C39 C44 120.0(7) . .
N3 C39 C44 107.6(6) . .
C39 C40 C41 119.5(8) . .
C39 C40 H40 120.3 . .
C41 C40 H40 120.3 . .
C42 C41 C40 119.5(9) . .
C42 C41 H41 120.2 . .
C40 C41 H41 120.2 . .
C43 C42 C41 123.2(9) . .
C43 C42 H42 118.4 . .
C41 C42 H42 118.4 . .
C42 C43 C44 117.9(9) . .
C42 C43 H43 121.1 . .
C44 C43 H43 121.1 . .
N4 C44 C43 134.7(8) . .
N4 C44 C39 105.3(6) . .
C43 C44 C39 119.9(8) . .
C46 C45 N4 112.9(9) . .
C46 C45 H45A 109.0 . .
N4 C45 H45A 109.0 . .
C46 C45 H45B 109.0 . .
N4 C45 H45B 109.0 . .
H45A C45 H45B 107.8 . .
C45 C46 C47 131.8(12) . .
C45 C46 H46A 104.3 . .
C47 C46 H46A 104.3 . .
C45 C46 H46B 104.3 . .
C47 C46 H46B 104.3 . .
H46A C46 H46B 105.6 . .
C46 C47 C48 134.4(13) . .
C46 C47 H47A 103.6 . .
C48 C47 H47A 103.6 . .
C46 C47 H47B 103.6 . .
C48 C47 H47B 103.6 . .
H47A C47 H47B 105.3 . .
C47 C48 C49 118.3(11) . .
C47 C48 H48A 107.7 . .
C49 C48 H48A 107.7 . .
C47 C48 H48B 107.7 . .
C49 C48 H48B 107.7 . .
H48A C48 H48B 107.1 . .
C50 C49 C48 110.3(11) . .
C50 C49 H49A 109.6 . .
C48 C49 H49A 109.6 . .
C50 C49 H49B 109.6 . .
C48 C49 H49B 109.6 . .
H49A C49 H49B 108.1 . .
C49 C50 N8 108.9(10) . .
C49 C50 H50A 109.9 . .
N8 C50 H50A 109.9 . .
C49 C50 H50B 109.9 . .
N8 C50 H50B 109.9 . .
H50A C50 H50B 108.3 . .
C52 C51 H51A 109.5 . .
C52 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C52 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N7 C52 N8 109.4(6) . .
N7 C52 C51 125.7(8) . .
N8 C52 C51 124.9(7) . .
N8 C53 C58 105.4(7) . .
N8 C53 C54 131.5(8) . .
C58 C53 C54 123.1(8) . .
C55 C54 C53 117.5(9) . .
C55 C54 H54 121.3 . .
C53 C54 H54 121.3 . .
C54 C55 C56 120.6(9) . .
C54 C55 H55 119.7 . .
C56 C55 H55 119.7 . .
C55 C56 C57 121.1(9) . .
C55 C56 H56 119.4 . .
C57 C56 H56 119.4 . .
C56 C57 C58 119.0(9) . .
C56 C57 H57 120.5 . .
C58 C57 H57 120.5 . .
C53 C58 N7 108.7(6) . .
C53 C58 C57 118.5(8) . .
N7 C58 C57 132.5(8) . .
O3 C59 O4 123.6(7) . .
O3 C59 C60 118.5(7) . .
O4 C59 C60 117.8(7) . .
C61 C60 C65 121.1(7) . .
C61 C60 C59 122.8(7) . .
C65 C60 C59 116.1(7) . .
C60 C61 C62 121.0(7) . .
C60 C61 H61 119.5 . .
C62 C61 H61 119.5 . .
C63 C62 C61 118.3(7) . .
C63 C62 H62 120.9 . .
C61 C62 H62 120.9 . .
C64 C63 C62 120.6(7) . .
C64 C63 S1 118.0(6) . .
C62 C63 S1 121.2(6) . .
C63 C64 C65 120.8(7) . .
C63 C64 H64 119.6 . .
C65 C64 H64 119.6 . .
C60 C65 C64 118.2(7) . .
C60 C65 H65 120.9 . .
C64 C65 H65 120.9 . .
C67 C66 C71 120.2(7) . .
C67 C66 S1 121.0(6) . .
C71 C66 S1 118.7(6) . .
C66 C67 C68 120.4(7) . .
C66 C67 H67 119.8 . .
C68 C67 H67 119.8 . .
C69 C68 C67 120.7(7) . .
C69 C68 H68 119.6 . .
C67 C68 H68 119.6 . .
C68 C69 C70 119.4(7) . .
C68 C69 C72 122.5(7) . .
C70 C69 C72 118.0(6) . .
C71 C70 C69 119.4(6) . .
C71 C70 H70 120.3 . .
C69 C70 H70 120.3 . .
C70 C71 C66 119.7(7) . .
C70 C71 H71 120.1 . .
C66 C71 H71 120.1 . .
O12 C72 O11 123.5(7) . .
O12 C72 C69 121.4(6) . .
O11 C72 C69 115.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.953(5) .
Zn1 O3 1.997(5) .
Zn1 N3 2.038(6) .
Zn1 N1 2.054(6) .
Zn2 O11 1.965(6) .
Zn2 O9 1.968(6) 1_645
Zn2 N7 2.009(6) 2_556
Zn2 N6 2.044(6) 2_667
S1 O2 1.413(6) .
S1 O1 1.442(6) .
S1 C66 1.757(7) .
S1 C63 1.787(8) .
S2 O7 1.424(6) .
S2 O8 1.444(6) .
S2 C27 1.758(8) .
S2 C30 1.758(8) .
O3 C59 1.244(9) .
O4 C59 1.240(9) .
O5 C23 1.287(9) .
O6 C23 1.209(9) .
O9 C36 1.247(10) .
O9 Zn2 1.968(6) 1_465
O10 C36 1.244(10) .
O11 C72 1.291(8) .
O12 C72 1.217(9) .
N1 C7 1.311(9) .
N1 C4 1.391(9) .
N2 C7 1.361(9) .
N2 C3 1.378(9) .
N2 C9 1.471(10) .
N3 C38 1.327(9) .
N3 C39 1.408(8) .
N4 C38 1.363(9) .
N4 C44 1.367(10) .
N4 C45 1.474(11) .
N5 C21 1.334(10) .
N5 C15 1.384(11) .
N5 C14 1.461(11) .
N6 C21 1.330(9) .
N6 C20 1.372(10) .
N6 Zn2 2.044(6) 2_667
N7 C52 1.322(9) .
N7 C58 1.400(10) .
N7 Zn2 2.009(6) 2_556
N8 C53 1.369(10) .
N8 C52 1.369(10) .
N8 C50 1.509(12) .
C1 C2 1.359(12) .
C1 C6 1.389(12) .
C1 H1 0.9300 .
C2 C3 1.387(11) .
C2 H2 0.9300 .
C3 C4 1.397(10) .
C4 C5 1.379(10) .
C5 C6 1.367(12) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.494(11) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.450(13) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.563(14) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.477(15) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.426(9) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.597(16) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.377(13) .
C15 C20 1.400(11) .
C16 C17 1.360(16) .
C16 H16 0.9300 .
C17 C18 1.356(16) .
C17 H17 0.9300 .
C18 C19 1.377(13) .
C18 H18 0.9300 .
C19 C20 1.392(11) .
C19 H19 0.9300 .
C21 C22 1.489(11) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.525(10) .
C24 C25 1.384(10) .
C24 C29 1.381(10) .
C25 C26 1.389(10) .
C25 H25 0.9300 .
C26 C27 1.391(10) .
C26 H26 0.9300 .
C27 C28 1.343(11) .
C28 C29 1.381(10) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.385(11) .
C30 C35 1.404(11) .
C31 C32 1.369(12) .
C31 H31 0.9300 .
C32 C33 1.381(11) .
C32 H32 0.9300 .
C33 C34 1.385(11) .
C33 C36 1.528(12) .
C34 C35 1.368(12) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C37 C38 1.475(10) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C39 C40 1.369(10) .
C39 C44 1.431(10) .
C40 C41 1.370(10) .
C40 H40 0.9300 .
C41 C42 1.391(14) .
C41 H41 0.9300 .
C42 C43 1.348(14) .
C42 H42 0.9300 .
C43 C44 1.385(11) .
C43 H43 0.9300 .
C45 C46 1.414(15) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.418(9) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.439(15) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 C49 1.539(16) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C49 C50 1.478(16) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C52 1.471(11) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C53 C58 1.382(11) .
C53 C54 1.387(13) .
C54 C55 1.359(13) .
C54 H54 0.9300 .
C55 C56 1.394(14) .
C55 H55 0.9300 .
C56 C57 1.382(13) .
C56 H56 0.9300 .
C57 C58 1.379(11) .
C57 H57 0.9300 .
C59 C60 1.514(10) .
C60 C61 1.355(10) .
C60 C65 1.378(10) .
C61 C62 1.405(11) .
C61 H61 0.9300 .
C62 C63 1.376(10) .
C62 H62 0.9300 .
C63 C64 1.371(11) .
C64 C65 1.401(12) .
C64 H64 0.9300 .
C65 H65 0.9300 .
C66 C67 1.358(10) .
C66 C71 1.406(10) .
C67 C68 1.387(11) .
C67 H67 0.9300 .
C68 C69 1.373(10) .
C68 H68 0.9300 .
C69 C70 1.414(10) .
C69 C72 1.502(10) .
C70 C71 1.384(10) .
C70 H70 0.9300 .
C71 H71 0.9300 .
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
O5 Zn1 O3 C59 52.6(6) .
N3 Zn1 O3 C59 -69.4(5) .
N1 Zn1 O3 C59 171.3(5) .
O3 Zn1 O5 C23 26.5(6) .
N3 Zn1 O5 C23 154.2(5) .
N1 Zn1 O5 C23 -93.6(5) .
O9 Zn2 O11 C72 63.5(6) 1_645
N7 Zn2 O11 C72 -72.3(6) 2_556
N6 Zn2 O11 C72 172.5(5) 2_667
O5 Zn1 N1 C7 105.2(6) .
O3 Zn1 N1 C7 -30.0(7) .
N3 Zn1 N1 C7 -151.2(6) .
O5 Zn1 N1 C4 -57.8(6) .
O3 Zn1 N1 C4 167.0(5) .
N3 Zn1 N1 C4 45.8(6) .
O5 Zn1 N3 C38 144.0(6) .
O3 Zn1 N3 C38 -78.3(6) .
N1 Zn1 N3 C38 38.2(6) .
O5 Zn1 N3 C39 -35.3(5) .
O3 Zn1 N3 C39 102.3(5) .
N1 Zn1 N3 C39 -141.1(5) .
C6 C1 C2 C3 -1.0(14) .
C1 C2 C3 C4 0.1(13) .
C1 C2 C3 N2 174.2(9) .
C7 N2 C3 C2 -176.8(9) .
C9 N2 C3 C2 -3.7(14) .
C7 N2 C3 C4 -2.1(8) .
C9 N2 C3 C4 171.0(7) .
C2 C3 C4 C5 0.5(12) .
N2 C3 C4 C5 -175.1(7) .
C2 C3 C4 N1 177.3(7) .
N2 C3 C4 N1 1.7(8) .
C7 N1 C4 C5 175.6(9) .
Zn1 N1 C4 C5 -18.3(12) .
C7 N1 C4 C3 -0.8(8) .
Zn1 N1 C4 C3 165.4(5) .
C3 C4 C5 C6 -0.2(12) .
N1 C4 C5 C6 -176.2(8) .
C2 C1 C6 C5 1.3(15) .
C4 C5 C6 C1 -0.6(14) .
C4 N1 C7 N2 -0.6(8) .
Zn1 N1 C7 N2 -165.8(5) .
C4 N1 C7 C8 -177.4(7) .
Zn1 N1 C7 C8 17.4(11) .
C3 N2 C7 N1 1.7(9) .
C9 N2 C7 N1 -170.9(7) .
C3 N2 C7 C8 178.7(7) .
C9 N2 C7 C8 6.2(12) .
C7 N2 C9 C10 -102.7(10) .
C3 N2 C9 C10 85.7(11) .
N2 C9 C10 C11 -170.8(8) .
C9 C10 C11 C12 100.4(12) .
C10 C11 C12 C13 -159.0(11) .
C11 C12 C13 C14 -172.6(10) .
C21 N5 C14 C13 75.1(12) .
C15 N5 C14 C13 -99.8(11) .
C12 C13 C14 N5 73.0(14) .
C21 N5 C15 C16 177.3(10) .
C14 N5 C15 C16 -6.9(16) .
C21 N5 C15 C20 -0.8(9) .
C14 N5 C15 C20 175.0(8) .
N5 C15 C16 C17 -173.3(10) .
C20 C15 C16 C17 4.5(15) .
C15 C16 C17 C18 -5.7(18) .
C16 C17 C18 C19 2.7(19) .
C17 C18 C19 C20 1.8(15) .
C21 N6 C20 C15 -0.2(9) .
Zn2 N6 C20 C15 179.7(5) 2_667
C21 N6 C20 C19 -177.1(9) .
Zn2 N6 C20 C19 2.8(12) 2_667
N5 C15 C20 N6 0.6(9) .
C16 C15 C20 N6 -177.7(8) .
N5 C15 C20 C19 178.0(7) .
C16 C15 C20 C19 -0.4(13) .
C18 C19 C20 N6 173.8(9) .
C18 C19 C20 C15 -2.8(13) .
C20 N6 C21 N5 -0.3(9) .
Zn2 N6 C21 N5 179.8(5) 2_667
C20 N6 C21 C22 175.3(8) .
Zn2 N6 C21 C22 -4.6(12) 2_667
C15 N5 C21 N6 0.7(9) .
C14 N5 C21 N6 -175.0(8) .
C15 N5 C21 C22 -175.0(8) .
C14 N5 C21 C22 9.3(13) .
Zn1 O5 C23 O6 9.6(10) .
Zn1 O5 C23 C24 -170.9(4) .
O6 C23 C24 C25 10.9(11) .
O5 C23 C24 C25 -168.7(7) .
O6 C23 C24 C29 -171.8(8) .
O5 C23 C24 C29 8.6(10) .
C29 C24 C25 C26 -1.4(11) .
C23 C24 C25 C26 175.9(7) .
C24 C25 C26 C27 -0.3(11) .
C25 C26 C27 C28 2.1(11) .
C25 C26 C27 S2 -176.7(6) .
O7 S2 C27 C28 42.8(8) .
O8 S2 C27 C28 174.6(6) .
C30 S2 C27 C28 -71.8(7) .
O7 S2 C27 C26 -138.5(6) .
O8 S2 C27 C26 -6.7(7) .
C30 S2 C27 C26 106.9(7) .
C26 C27 C28 C29 -2.1(12) .
S2 C27 C28 C29 176.6(7) .
C27 C28 C29 C24 0.3(13) .
C25 C24 C29 C28 1.5(12) .
C23 C24 C29 C28 -175.8(7) .
O7 S2 C30 C31 26.5(9) .
O8 S2 C30 C31 -101.9(8) .
C27 S2 C30 C31 142.8(8) .
O7 S2 C30 C35 -159.1(7) .
O8 S2 C30 C35 72.5(8) .
C27 S2 C30 C35 -42.8(8) .
C35 C30 C31 C32 -4.6(15) .
S2 C30 C31 C32 169.9(8) .
C30 C31 C32 C33 3.9(16) .
C31 C32 C33 C34 -0.1(15) .
C31 C32 C33 C36 -178.0(9) .
C32 C33 C34 C35 -2.9(14) .
C36 C33 C34 C35 174.9(8) .
C31 C30 C35 C34 1.5(14) .
S2 C30 C35 C34 -173.0(7) .
C33 C34 C35 C30 2.2(14) .
Zn2 O9 C36 O10 1.2(12) 1_465
Zn2 O9 C36 C33 -178.4(5) 1_465
C34 C33 C36 O10 -141.1(9) .
C32 C33 C36 O10 36.7(12) .
C34 C33 C36 O9 38.5(12) .
C32 C33 C36 O9 -143.6(9) .
C39 N3 C38 N4 2.3(7) .
Zn1 N3 C38 N4 -177.1(4) .
C39 N3 C38 C37 -178.1(6) .
Zn1 N3 C38 C37 2.5(10) .
C44 N4 C38 N3 -0.3(8) .
C45 N4 C38 N3 174.9(7) .
C44 N4 C38 C37 -179.9(6) .
C45 N4 C38 C37 -4.8(11) .
C38 N3 C39 C40 179.0(7) .
Zn1 N3 C39 C40 -1.5(10) .
C38 N3 C39 C44 -3.4(7) .
Zn1 N3 C39 C44 176.1(4) .
N3 C39 C40 C41 179.9(7) .
C44 C39 C40 C41 2.4(10) .
C39 C40 C41 C42 -1.5(12) .
C40 C41 C42 C43 0.6(15) .
C41 C42 C43 C44 -0.8(16) .
C38 N4 C44 C43 -177.2(9) .
C45 N4 C44 C43 7.6(14) .
C38 N4 C44 C39 -1.8(7) .
C45 N4 C44 C39 -177.0(7) .
C42 C43 C44 N4 176.6(9) .
C42 C43 C44 C39 1.8(13) .
C40 C39 C44 N4 -178.8(6) .
N3 C39 C44 N4 3.2(7) .
C40 C39 C44 C43 -2.6(10) .
N3 C39 C44 C43 179.4(7) .
C38 N4 C45 C46 -103.2(12) .
C44 N4 C45 C46 71.2(13) .
N4 C45 C46 C47 33(2) .
C45 C46 C47 C48 165.9(16) .
C46 C47 C48 C49 68(2) .
C47 C48 C49 C50 -114.7(13) .
C48 C49 C50 N8 169.7(9) .
C53 N8 C50 C49 -88.2(12) .
C52 N8 C50 C49 106.2(11) .
C58 N7 C52 N8 1.5(9) .
Zn2 N7 C52 N8 171.5(6) 2_556
C58 N7 C52 C51 -179.3(8) .
Zn2 N7 C52 C51 -9.3(12) 2_556
C53 N8 C52 N7 -0.9(10) .
C50 N8 C52 N7 166.4(8) .
C53 N8 C52 C51 179.8(8) .
C50 N8 C52 C51 -12.8(14) .
C52 N8 C53 C58 0.0(10) .
C50 N8 C53 C58 -167.6(9) .
C52 N8 C53 C54 -178.8(11) .
C50 N8 C53 C54 13.6(17) .
N8 C53 C54 C55 -177.6(10) .
C58 C53 C54 C55 3.7(16) .
C53 C54 C55 C56 -0.7(17) .
C54 C55 C56 C57 -0.4(18) .
C55 C56 C57 C58 -1.4(16) .
N8 C53 C58 N7 0.9(10) .
C54 C53 C58 N7 179.8(9) .
N8 C53 C58 C57 175.6(8) .
C54 C53 C58 C57 -5.5(14) .
C52 N7 C58 C53 -1.5(9) .
Zn2 N7 C58 C53 -172.1(6) 2_556
C52 N7 C58 C57 -175.1(9) .
Zn2 N7 C58 C57 14.3(13) 2_556
C56 C57 C58 C53 4.2(14) .
C56 C57 C58 N7 177.3(9) .
Zn1 O3 C59 O4 3.6(9) .
Zn1 O3 C59 C60 -178.0(5) .
O3 C59 C60 C61 21.3(12) .
O4 C59 C60 C61 -160.2(8) .
O3 C59 C60 C65 -157.3(8) .
O4 C59 C60 C65 21.2(11) .
C65 C60 C61 C62 -0.7(13) .
C59 C60 C61 C62 -179.2(7) .
C60 C61 C62 C63 0.8(13) .
C61 C62 C63 C64 -0.1(13) .
C61 C62 C63 S1 175.5(6) .
O2 S1 C63 C64 -172.8(7) .
O1 S1 C63 C64 57.8(8) .
C66 S1 C63 C64 -56.9(8) .
O2 S1 C63 C62 11.5(8) .
O1 S1 C63 C62 -117.9(7) .
C66 S1 C63 C62 127.4(7) .
C62 C63 C64 C65 -0.8(15) .
S1 C63 C64 C65 -176.6(8) .
C61 C60 C65 C64 -0.2(14) .
C59 C60 C65 C64 178.4(9) .
C63 C64 C65 C60 1.0(16) .
O2 S1 C66 C67 33.0(8) .
O1 S1 C66 C67 165.4(6) .
C63 S1 C66 C67 -81.6(7) .
O2 S1 C66 C71 -149.5(6) .
O1 S1 C66 C71 -17.1(7) .
C63 S1 C66 C71 95.9(6) .
C71 C66 C67 C68 -2.7(12) .
S1 C66 C67 C68 174.7(6) .
C66 C67 C68 C69 -0.1(12) .
C67 C68 C69 C70 1.4(12) .
C67 C68 C69 C72 -177.5(7) .
C68 C69 C70 C71 0.1(11) .
C72 C69 C70 C71 179.1(6) .
C69 C70 C71 C66 -2.9(11) .
C67 C66 C71 C70 4.2(11) .
S1 C66 C71 C70 -173.3(6) .
Zn2 O11 C72 O12 4.1(10) .
Zn2 O11 C72 C69 -174.9(5) .
C68 C69 C72 O12 179.2(8) .
C70 C69 C72 O12 0.2(11) .
C68 C69 C72 O11 -1.8(10) .
C70 C69 C72 O11 179.2(7) .
