#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:18:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178621 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/32/4073293.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_4073293
loop_
_publ_author_name
'Pilz, Maurice Frederic'
'Limberg, Christian'
'Lazarov, Boyan B.'
'Hultzsch, Kai C.'
'Ziemer, Burkhard'
_publ_section_title
;
 Dinuclear Zinc Complexes Based on Parallel β-Diiminato Binding
 Sites:  Syntheses, Structures, and Properties as CO2/Epoxide
 Copolymerization Catalysts
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3668
_journal_paper_doi               10.1021/om070221e
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C260 H312 N16 O20 S8 Zn8, 2(C4 H8 O)'
_chemical_formula_sum            'C134 H164 N8 O11 S4 Zn4'
_chemical_formula_weight         2452.45
_chemical_name_systematic
; 
 (Me2C6H3Xanthdim)(Zn(SO2Et)2)2 
;
_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                97.68(2)
_cell_angle_beta                 101.64(2)
_cell_angle_gamma                91.66(2)
_cell_formula_units_Z            2
_cell_length_a                   16.976(3)
_cell_length_b                   17.897(3)
_cell_length_c                   24.587(4)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.5
_cell_volume                     7239(2)
_computing_cell_refinement       'IPDS2.87 (Stoe & Cie, 1997)'
_computing_data_collection       'IPDS2.87 (Stoe & Cie, 1997)'
_computing_data_reduction        'IPDS2.87 (Stoe & Cie, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 6.667
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device       'Stoe IPDS diffractometer'
_diffrn_measurement_method       'φ-oscill.,φ-incr.=1.3°,192 exposures'
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1579
_diffrn_reflns_av_sigmaI/netI    0.4236
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            48741
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.8619
_exptl_absorpt_correction_T_min  0.8027
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
The correction was carried out by ABSCOR (Stoe, 1997), a modification of
DIFABS (Walker, N. & Stuart, D. (1983). Acta Cryst. A39, 158-166.
In contrary to DIFABS, ABSCOR loads F² values instead of F ones.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.069
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.00130(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.711
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1459
_refine_ls_number_reflns         24669
_refine_ls_number_restraints     124
_refine_ls_restrained_S_all      0.749
_refine_ls_R_factor_all          0.2691
_refine_ls_R_factor_gt           0.0808
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0891P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1921
_refine_ls_wR_factor_ref         0.2610
_reflns_number_gt                5322
_reflns_number_total             24669
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om070221e-file003.cif
_cod_data_source_block           elke69
_cod_database_code               4073293
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_group
C1 C 0.0756(7) 0.1256(7) 0.5763(6) 0.050(3) Uani 1 1 d . .
C2 C 0.1393(7) 0.1022(7) 0.6142(5) 0.050(3) Uani 1 1 d . .
C3 C 0.1249(8) 0.0491(8) 0.6493(6) 0.063(4) Uani 1 1 d . .
H3 H 0.1685 0.0321 0.6745 0.075 Uiso 1 1 calc R .
C4 C 0.0447(8) 0.0214(8) 0.6468(6) 0.060(4) Uani 1 1 d . .
C5 C -0.0179(8) 0.0487(8) 0.6100(6) 0.060(4) Uani 1 1 d . .
H5 H -0.0716 0.0308 0.6087 0.071 Uiso 1 1 calc R .
C6 C -0.0049(6) 0.1016(7) 0.5748(6) 0.053(4) Uani 1 1 d . .
C7 C -0.0751(6) 0.1302(8) 0.5372(6) 0.057(4) Uani 1 1 d . .
C8 C -0.0465(7) 0.1916(7) 0.5036(6) 0.053(3) Uani 1 1 d . .
C9 C -0.1003(8) 0.2328(10) 0.4704(7) 0.081(5) Uani 1 1 d . .
H9 H -0.1560 0.2261 0.4706 0.097 Uiso 1 1 calc R .
C10 C -0.0780(7) 0.2822(9) 0.4376(7) 0.089(6) Uani 1 1 d D .
C11 C 0.0047(8) 0.2900(9) 0.4390(7) 0.083(5) Uani 1 1 d . .
H11 H 0.0223 0.3242 0.4169 0.099 Uiso 1 1 calc R .
C12 C 0.0634(7) 0.2506(7) 0.4710(6) 0.057(4) Uani 1 1 d . .
C13 C 0.0370(7) 0.2032(7) 0.5059(6) 0.055(4) Uani 1 1 d . .
C14 C 0.0301(8) -0.0365(9) 0.6837(6) 0.070(5) Uani 1 1 d . .
C15 C 0.088(2) -0.036(3) 0.7299(14) 0.39(4) Uani 1 1 d . .
H15A H 0.1408 -0.0404 0.7191 0.586 Uiso 1 1 calc R .
H15B H 0.0783 -0.0795 0.7488 0.586 Uiso 1 1 calc R .
H15C H 0.0888 0.0106 0.7555 0.586 Uiso 1 1 calc R .
C16 C 0.014(3) -0.1112(13) 0.6522(12) 0.34(3) Uani 1 1 d . .
H16A H -0.0269 -0.1097 0.6183 0.512 Uiso 1 1 calc R .
H16B H -0.0046 -0.1456 0.6753 0.512 Uiso 1 1 calc R .
H16C H 0.0641 -0.1290 0.6418 0.512 Uiso 1 1 calc R .
C17 C -0.050(2) -0.034(2) 0.697(2) 0.35(3) Uani 1 1 d . .
H17A H -0.0902 -0.0363 0.6618 0.518 Uiso 1 1 calc R .
H17B H -0.0531 0.0140 0.7208 0.518 Uiso 1 1 calc R .
H17C H -0.0593 -0.0762 0.7161 0.518 Uiso 1 1 calc R .
C18 C -0.1188(7) 0.0645(8) 0.4932(6) 0.081(5) Uani 1 1 d . .
H18A H -0.1648 0.0833 0.4689 0.121 Uiso 1 1 calc R .
H18B H -0.1378 0.0251 0.5123 0.121 Uiso 1 1 calc R .
H18C H -0.0813 0.0434 0.4704 0.121 Uiso 1 1 calc R .
C19 C -0.1345(7) 0.1669(8) 0.5711(6) 0.070(4) Uani 1 1 d . .
H19A H -0.1799 0.1844 0.5455 0.104 Uiso 1 1 calc R .
H19B H -0.1070 0.2099 0.5977 0.104 Uiso 1 1 calc R .
H19C H -0.1545 0.1297 0.5917 0.104 Uiso 1 1 calc R .
C20 C -0.1397(10) 0.3185(14) 0.3984(9) 0.177(12) Uani 1 1 d D .
C21 C -0.1054(13) 0.386(2) 0.381(2) 0.47(5) Uani 1 1 d D .
H21A H -0.0508 0.3767 0.3754 0.704 Uiso 1 1 calc R .
H21B H -0.1032 0.4292 0.4106 0.704 Uiso 1 1 calc R .
H21C H -0.1392 0.3967 0.3462 0.704 Uiso 1 1 calc R .
C22 C -0.170(3) 0.258(2) 0.3454(11) 0.70(10) Uani 1 1 d D .
H22A H -0.1273 0.2497 0.3245 1.045 Uiso 1 1 calc R .
H22B H -0.2171 0.2763 0.3214 1.045 Uiso 1 1 calc R .
H22C H -0.1859 0.2106 0.3572 1.045 Uiso 1 1 calc R .
C23 C -0.2111(10) 0.3369(15) 0.4244(12) 0.207(15) Uani 1 1 d D .
H23A H -0.1952 0.3398 0.4652 0.310 Uiso 1 1 calc R .
H23B H -0.2541 0.2972 0.4099 0.310 Uiso 1 1 calc R .
H23C H -0.2305 0.3855 0.4149 0.310 Uiso 1 1 calc R .
C24 C 0.2234(6) 0.1345(7) 0.6201(5) 0.049(3) Uani 1 1 d . .
C25 C 0.2849(7) 0.0846(7) 0.6209(5) 0.048(3) Uani 1 1 d . .
H25 H 0.2685 0.0325 0.6163 0.057 Uiso 1 1 calc R .
C26 C 0.2352(7) 0.2132(7) 0.6304(5) 0.047(3) Uani 1 1 d . .
H26 H 0.1883 0.2410 0.6302 0.057 Uiso 1 1 calc R .
C27 C 0.1494(7) 0.2569(7) 0.4653(6) 0.053(4) Uani 1 1 d . .
C28 C 0.1834(8) 0.1880(7) 0.4517(6) 0.053(3) Uani 1 1 d . .
H28 H 0.1541 0.1436 0.4554 0.064 Uiso 1 1 calc R .
C29 C 0.1894(7) 0.3281(8) 0.4692(6) 0.057(4) Uani 1 1 d . .
H29 H 0.1606 0.3705 0.4796 0.068 Uiso 1 1 calc R .
C30 C 0.4163(7) 0.0388(7) 0.6313(6) 0.050(3) Uani 1 1 d . .
C31 C 0.4219(9) -0.0042(9) 0.6750(7) 0.071(4) Uani 1 1 d . .
C32 C 0.4750(11) -0.0643(9) 0.6796(8) 0.085(5) Uani 1 1 d . .
C33 C 0.5190(8) -0.0766(9) 0.6374(9) 0.085(5) Uani 1 1 d . .
H33 H 0.5538 -0.1172 0.6380 0.102 Uiso 1 1 calc R .
C34 C 0.5145(9) -0.0337(9) 0.5956(8) 0.078(5) Uani 1 1 d . .
H34 H 0.5475 -0.0433 0.5688 0.093 Uiso 1 1 calc R .
C35 C 0.4629(7) 0.0230(8) 0.5919(6) 0.056(4) Uani 1 1 d . .
H35 H 0.4590 0.0519 0.5618 0.068 Uiso 1 1 calc R .
C36 C 0.3716(11) 0.0143(10) 0.7234(7) 0.100(6) Uani 1 1 d . .
H36A H 0.3831 -0.0219 0.7502 0.149 Uiso 1 1 calc R .
H36B H 0.3138 0.0104 0.7067 0.149 Uiso 1 1 calc R .
H36C H 0.3870 0.0656 0.7430 0.149 Uiso 1 1 calc R .
C37 C 0.4844(13) -0.1116(13) 0.7284(10) 0.144(9) Uani 1 1 d . .
H37A H 0.4489 -0.0937 0.7536 0.216 Uiso 1 1 calc R .
H37B H 0.5405 -0.1063 0.7492 0.216 Uiso 1 1 calc R .
H37C H 0.4699 -0.1648 0.7133 0.216 Uiso 1 1 calc R .
C38 C 0.2995(6) 0.3346(8) 0.6546(6) 0.052(3) Uani 1 1 d . .
C39 C 0.3083(7) 0.3677(7) 0.7099(6) 0.052(3) Uani 1 1 d . .
C40 C 0.3026(7) 0.4470(8) 0.7210(6) 0.059(4) Uani 1 1 d . .
C41 C 0.2922(8) 0.4893(9) 0.6773(7) 0.072(4) Uani 1 1 d . .
H41 H 0.2894 0.5424 0.6851 0.086 Uiso 1 1 calc R .
C42 C 0.2860(9) 0.4563(9) 0.6236(7) 0.077(4) Uani 1 1 d . .
H42 H 0.2788 0.4864 0.5942 0.093 Uiso 1 1 calc R .
C43 C 0.2900(8) 0.3773(8) 0.6112(6) 0.066(4) Uani 1 1 d . .
H43 H 0.2862 0.3540 0.5736 0.079 Uiso 1 1 calc R .
C44 C 0.3186(10) 0.3210(8) 0.7581(6) 0.080(5) Uani 1 1 d . .
H44A H 0.3236 0.3547 0.7937 0.120 Uiso 1 1 calc R .
H44B H 0.3674 0.2927 0.7589 0.120 Uiso 1 1 calc R .
H44C H 0.2717 0.2856 0.7528 0.120 Uiso 1 1 calc R .
C45 C 0.3104(10) 0.4855(8) 0.7799(6) 0.085(5) Uani 1 1 d . .
H45A H 0.3176 0.4479 0.8057 0.127 Uiso 1 1 calc R .
H45B H 0.2615 0.5121 0.7831 0.127 Uiso 1 1 calc R .
H45C H 0.3571 0.5219 0.7894 0.127 Uiso 1 1 calc R .
C46 C 0.2691(6) 0.0991(8) 0.4252(6) 0.055(4) Uani 1 1 d . .
C47 C 0.2689(8) 0.0630(10) 0.3686(7) 0.074(5) Uani 1 1 d . .
C48 C 0.2838(10) -0.0118(10) 0.3599(9) 0.086(6) Uani 1 1 d . .
C49 C 0.3015(10) -0.0503(10) 0.4046(11) 0.093(6) Uani 1 1 d . .
H49 H 0.3131 -0.1019 0.3981 0.112 Uiso 1 1 calc R .
C50 C 0.3032(8) -0.0180(10) 0.4580(9) 0.081(5) Uani 1 1 d . .
H50 H 0.3153 -0.0475 0.4878 0.097 Uiso 1 1 calc R .
C51 C 0.2875(7) 0.0575(8) 0.4698(7) 0.062(4) Uani 1 1 d . .
H51 H 0.2892 0.0803 0.5073 0.075 Uiso 1 1 calc R .
C52 C 0.2474(10) 0.1114(10) 0.3202(7) 0.092(6) Uani 1 1 d . .
H52A H 0.2383 0.1630 0.3357 0.138 Uiso 1 1 calc R .
H52B H 0.1985 0.0892 0.2939 0.138 Uiso 1 1 calc R .
H52C H 0.2920 0.1125 0.3004 0.138 Uiso 1 1 calc R .
C53 C 0.2844(13) -0.0452(10) 0.3025(9) 0.133(9) Uani 1 1 d . .
H53A H 0.2698 -0.0076 0.2772 0.200 Uiso 1 1 calc R .
H53B H 0.2453 -0.0887 0.2914 0.200 Uiso 1 1 calc R .
H53C H 0.3383 -0.0617 0.3004 0.200 Uiso 1 1 calc R .
C54 C 0.2923(7) 0.4204(7) 0.4680(5) 0.051(3) Uani 1 1 d . .
C55 C 0.2525(8) 0.4777(8) 0.4450(6) 0.064(4) Uani 1 1 d . .
C56 C 0.2849(8) 0.5522(8) 0.4564(7) 0.070(4) Uani 1 1 d . .
C57 C 0.3589(8) 0.5679(8) 0.4933(7) 0.071(5) Uani 1 1 d . .
H57 H 0.3806 0.6185 0.5034 0.086 Uiso 1 1 calc R .
C58 C 0.4014(8) 0.5095(8) 0.5154(6) 0.068(4) Uani 1 1 d . .
H58 H 0.4538 0.5200 0.5382 0.082 Uiso 1 1 calc R .
C59 C 0.3682(7) 0.4378(8) 0.5047(6) 0.060(4) Uani 1 1 d . .
H59 H 0.3962 0.3990 0.5219 0.072 Uiso 1 1 calc R .
C60 C 0.1739(9) 0.4594(9) 0.4004(7) 0.098(6) Uani 1 1 d . .
H60A H 0.1531 0.5063 0.3882 0.147 Uiso 1 1 calc R .
H60B H 0.1338 0.4343 0.4165 0.147 Uiso 1 1 calc R .
H60C H 0.1847 0.4260 0.3681 0.147 Uiso 1 1 calc R .
C61 C 0.2445(11) 0.6147(10) 0.4290(9) 0.114(7) Uani 1 1 d . .
H61A H 0.2776 0.6619 0.4422 0.171 Uiso 1 1 calc R .
H61B H 0.1915 0.6205 0.4386 0.171 Uiso 1 1 calc R .
H61C H 0.2379 0.6027 0.3882 0.171 Uiso 1 1 calc R .
C62 C 0.5637(16) 0.1487(10) 0.7646(10) 0.26(2) Uani 1 1 d D .
H62A H 0.5892 0.1141 0.7392 0.316 Uiso 1 1 d R .
H62B H 0.5062 0.1308 0.7561 0.316 Uiso 1 1 d R .
C63 C 0.592(2) 0.1306(14) 0.8196(10) 0.24(2) Uani 1 1 d D .
H63A H 0.6150 0.0808 0.8170 0.365 Uiso 1 1 calc R .
H63B H 0.5478 0.1300 0.8393 0.365 Uiso 1 1 calc R .
H63C H 0.6343 0.1686 0.8403 0.365 Uiso 1 1 calc R .
C64 C 0.5676(9) 0.2249(9) 0.5368(8) 0.085(5) Uani 1 1 d . .
H64A H 0.5794 0.2799 0.5486 0.102 Uiso 1 1 calc R .
H64B H 0.5912 0.1989 0.5688 0.102 Uiso 1 1 calc R .
C65 C 0.6059(10) 0.2007(10) 0.4899(9) 0.106(6) Uani 1 1 d . .
H65A H 0.6641 0.2129 0.5012 0.159 Uiso 1 1 calc R .
H65B H 0.5836 0.2270 0.4582 0.159 Uiso 1 1 calc R .
H65C H 0.5959 0.1461 0.4786 0.159 Uiso 1 1 calc R .
C66 C 0.1971(12) 0.3485(10) 0.0009(7) 0.098(6) Uani 1 1 d . .
C67 C 0.2512(11) 0.2995(9) 0.0272(7) 0.091(6) Uani 1 1 d . .
C68 C 0.2600(13) 0.2305(11) -0.0007(8) 0.126(8) Uani 1 1 d . .
H68 H 0.2947 0.1962 0.0171 0.152 Uiso 1 1 calc R .
C69 C 0.2160(15) 0.2096(12) -0.0579(10) 0.150(10) Uani 1 1 d . .
C70 C 0.1607(15) 0.2583(12) -0.0797(9) 0.143(10) Uani 1 1 d . .
H70 H 0.1300 0.2432 -0.1166 0.172 Uiso 1 1 calc R .
C71 C 0.1470(13) 0.3258(10) -0.0527(8) 0.112(7) Uani 1 1 d . .
C72 C 0.0803(12) 0.3771(11) -0.0712(7) 0.117(8) Uani 1 1 d D .
C73 C 0.1176(8) 0.4553(10) -0.0579(7) 0.073(5) Uani 1 1 d . .
C74 C 0.0962(8) 0.5112(11) -0.0904(6) 0.078(5) Uani 1 1 d . .
H74 H 0.0582 0.4988 -0.1248 0.093 Uiso 1 1 calc R .
C75 C 0.1290(9) 0.5870(11) -0.0743(7) 0.086(5) Uani 1 1 d . .
C76 C 0.1809(8) 0.6028(10) -0.0224(7) 0.082(5) Uani 1 1 d . .
H76 H 0.2019 0.6533 -0.0098 0.098 Uiso 1 1 calc R .
C77 C 0.2041(7) 0.5477(8) 0.0126(6) 0.058(4) Uani 1 1 d . .
C78 C 0.1714(7) 0.4750(9) -0.0059(6) 0.060(4) Uani 1 1 d . .
C79 C 0.236(3) 0.1342(18) -0.0936(14) 0.23(2) Uani 1 1 d . .
C80 C 0.277(2) 0.0779(18) -0.0570(15) 0.27(2) Uani 1 1 d . .
H80A H 0.2488 0.0747 -0.0260 0.408 Uiso 1 1 calc R .
H80B H 0.3331 0.0948 -0.0419 0.408 Uiso 1 1 calc R .
H80C H 0.2737 0.0281 -0.0796 0.408 Uiso 1 1 calc R .
C81 C 0.152(2) 0.0847(15) -0.1163(14) 0.27(2) Uani 1 1 d . .
H81A H 0.1301 0.0729 -0.0844 0.407 Uiso 1 1 calc R .
H81B H 0.1618 0.0376 -0.1388 0.407 Uiso 1 1 calc R .
H81C H 0.1140 0.1134 -0.1396 0.407 Uiso 1 1 calc R .
C82 C 0.267(4) 0.149(3) -0.143(2) 0.38(4) Uani 1 1 d . .
H82A H 0.2346 0.1856 -0.1622 0.567 Uiso 1 1 calc R .
H82B H 0.2650 0.1017 -0.1687 0.567 Uiso 1 1 calc R .
H82C H 0.3234 0.1692 -0.1311 0.567 Uiso 1 1 calc R .
C83 C 0.0426(13) 0.3577(11) -0.1337(7) 0.183(13) Uani 1 1 d D .
H83A H -0.0005 0.3916 -0.1439 0.275 Uiso 1 1 calc R .
H83B H 0.0203 0.3053 -0.1416 0.275 Uiso 1 1 calc R .
H83C H 0.0839 0.3636 -0.1557 0.275 Uiso 1 1 calc R .
C84 C 0.0112(13) 0.3723(14) -0.0375(9) 0.186(14) Uani 1 1 d D .
H84A H -0.0311 0.4057 -0.0507 0.280 Uiso 1 1 calc R .
H84B H 0.0333 0.3881 0.0026 0.280 Uiso 1 1 calc R .
H84C H -0.0116 0.3202 -0.0433 0.280 Uiso 1 1 calc R .
C85 C 0.1055(12) 0.6471(12) -0.1160(10) 0.112(7) Uani 1 1 d . .
C86 C 0.1256(14) 0.6162(17) -0.1740(10) 0.173(11) Uani 1 1 d . .
H86A H 0.0956 0.5678 -0.1888 0.260 Uiso 1 1 calc R .
H86B H 0.1835 0.6091 -0.1692 0.260 Uiso 1 1 calc R .
H86C H 0.1104 0.6524 -0.2003 0.260 Uiso 1 1 calc R .
C87 C 0.0164(12) 0.6595(11) -0.1204(9) 0.127(8) Uani 1 1 d . .
H87A H -0.0149 0.6115 -0.1346 0.191 Uiso 1 1 calc R .
H87B H -0.0001 0.6961 -0.1463 0.191 Uiso 1 1 calc R .
H87C H 0.0066 0.6789 -0.0833 0.191 Uiso 1 1 calc R .
C88 C 0.156(2) 0.7237(14) -0.0943(13) 0.27(2) Uani 1 1 d . .
H88A H 0.2130 0.7155 -0.0917 0.400 Uiso 1 1 calc R .
H88B H 0.1464 0.7437 -0.0571 0.400 Uiso 1 1 calc R .
H88C H 0.1388 0.7599 -0.1203 0.400 Uiso 1 1 calc R .
C89 C 0.2957(11) 0.3181(9) 0.0888(7) 0.076(5) Uani 1 1 d . .
C90 C 0.3730(10) 0.2954(8) 0.1040(7) 0.070(4) Uani 1 1 d . .
H90 H 0.3967 0.2727 0.0744 0.083 Uiso 1 1 calc R .
C91 C 0.2501(9) 0.3507(8) 0.1259(7) 0.068(4) Uani 1 1 d . .
H91 H 0.1964 0.3608 0.1099 0.082 Uiso 1 1 calc R .
C92 C 0.2612(7) 0.5722(8) 0.0661(6) 0.058(4) Uani 1 1 d . .
C93 C 0.3419(8) 0.5566(8) 0.0655(5) 0.062(4) Uani 1 1 d . .
H93 H 0.3520 0.5260 0.0333 0.074 Uiso 1 1 calc R .
C94 C 0.2339(7) 0.6168(8) 0.1078(6) 0.063(4) Uani 1 1 d . .
H94 H 0.1777 0.6237 0.1003 0.076 Uiso 1 1 calc R .
C95 C 0.2114(9) 0.3991(10) 0.2080(6) 0.074(5) Uani 1 1 d . .
C96 C 0.1643(11) 0.3521(11) 0.2339(8) 0.099(7) Uani 1 1 d . .
C97 C 0.1035(12) 0.384(2) 0.2602(9) 0.148(14) Uani 1 1 d . .
C98 C 0.0927(14) 0.4588(17) 0.2561(11) 0.133(11) Uani 1 1 d . .
H98 H 0.0512 0.4820 0.2717 0.160 Uiso 1 1 calc R .
C99 C 0.1371(14) 0.5010(13) 0.2313(9) 0.121(9) Uani 1 1 d . .
H99 H 0.1268 0.5530 0.2317 0.145 Uiso 1 1 calc R .
C100 C 0.1946(10) 0.4745(11) 0.2061(9) 0.096(6) Uani 1 1 d . .
H100 H 0.2233 0.5058 0.1875 0.115 Uiso 1 1 calc R .
C101 C 0.1836(10) 0.2705(13) 0.2333(9) 0.134(10) Uani 1 1 d . .
H10A H 0.2280 0.2604 0.2138 0.201 Uiso 1 1 calc R .
H10B H 0.1360 0.2382 0.2137 0.201 Uiso 1 1 calc R .
H10C H 0.1994 0.2597 0.2719 0.201 Uiso 1 1 calc R .
C102 C 0.0560(12) 0.3290(16) 0.2875(8) 0.181(14) Uani 1 1 d . .
H10D H 0.0778 0.2789 0.2835 0.272 Uiso 1 1 calc R .
H10E H -0.0010 0.3254 0.2689 0.272 Uiso 1 1 calc R .
H10F H 0.0613 0.3480 0.3275 0.272 Uiso 1 1 calc R .
C103 C 0.4932(10) 0.2691(8) 0.1614(6) 0.067(4) Uani 1 1 d . .
C104 C 0.5642(11) 0.3158(11) 0.1914(7) 0.091(5) Uani 1 1 d . .
H104 H 0.5576 0.3667 0.2057 0.110 Uiso 1 1 calc R .
C105 C 0.6378(14) 0.2905(13) 0.1998(10) 0.113(7) Uani 1 1 d . .
H105 H 0.6822 0.3234 0.2198 0.136 Uiso 1 1 calc R .
C106 C 0.6506(13) 0.2167(16) 0.1799(10) 0.116(7) Uani 1 1 d . .
H106 H 0.7039 0.2002 0.1843 0.139 Uiso 1 1 calc R .
C107 C 0.5850(16) 0.1659(12) 0.1531(9) 0.105(6) Uani 1 1 d . .
C108 C 0.5060(13) 0.1912(10) 0.1422(8) 0.093(5) Uani 1 1 d . .
C109 C 0.4345(14) 0.1402(10) 0.1176(9) 0.139(9) Uani 1 1 d . .
H10G H 0.3862 0.1693 0.1139 0.208 Uiso 1 1 calc R .
H10H H 0.4303 0.1019 0.1420 0.208 Uiso 1 1 calc R .
H10I H 0.4395 0.1154 0.0805 0.208 Uiso 1 1 calc R .
C110 C 0.5978(17) 0.0813(12) 0.1302(11) 0.167(11) Uani 1 1 d . .
H11A H 0.5455 0.0550 0.1130 0.251 Uiso 1 1 calc R .
H11B H 0.6244 0.0559 0.1613 0.251 Uiso 1 1 calc R .
H11C H 0.6315 0.0804 0.1022 0.251 Uiso 1 1 calc R .
C111 C 0.2329(7) 0.6966(8) 0.1915(6) 0.057(4) Uani 1 1 d . .
C112 C 0.1898(8) 0.7549(8) 0.1707(7) 0.059(4) Uani 1 1 d . .
C113 C 0.1460(10) 0.7958(9) 0.2082(9) 0.082(5) Uani 1 1 d . .
C114 C 0.1512(11) 0.7824(10) 0.2617(11) 0.097(6) Uani 1 1 d . .
H114 H 0.1218 0.8111 0.2854 0.116 Uiso 1 1 calc R .
C115 C 0.2004(12) 0.7257(11) 0.2824(8) 0.095(6) Uani 1 1 d . .
H115 H 0.2053 0.7169 0.3201 0.114 Uiso 1 1 calc R .
C116 C 0.2413(9) 0.6835(9) 0.2470(7) 0.069(4) Uani 1 1 d . .
H116 H 0.2750 0.6456 0.2605 0.083 Uiso 1 1 calc R .
C117 C 0.1888(8) 0.7758(9) 0.1160(7) 0.080(5) Uani 1 1 d . .
H11D H 0.1541 0.8181 0.1103 0.120 Uiso 1 1 calc R .
H11E H 0.1680 0.7326 0.0872 0.120 Uiso 1 1 calc R .
H11F H 0.2437 0.7909 0.1133 0.120 Uiso 1 1 calc R .
C118 C 0.0919(12) 0.8564(11) 0.1892(10) 0.126(8) Uani 1 1 d . .
H11G H 0.0938 0.8615 0.1503 0.189 Uiso 1 1 calc R .
H11H H 0.1102 0.9045 0.2133 0.189 Uiso 1 1 calc R .
H11I H 0.0366 0.8428 0.1916 0.189 Uiso 1 1 calc R .
C119 C 0.4886(6) 0.5708(11) 0.0939(5) 0.152(10) Uani 1 1 d GU .
C120 C 0.5123(11) 0.4973(10) 0.0844(6) 0.201(12) Uani 1 1 d GDU .
C121 C 0.5896(13) 0.4844(12) 0.0761(6) 0.247(15) Uani 1 1 d GDU .
C122 C 0.6433(8) 0.5451(16) 0.0773(6) 0.259(15) Uani 1 1 d GU .
H122 H 0.6962 0.5363 0.0717 0.311 Uiso 1 1 calc R .
C123 C 0.6196(7) 0.6185(13) 0.0868(5) 0.235(13) Uani 1 1 d GU .
H123 H 0.6563 0.6600 0.0876 0.282 Uiso 1 1 calc R .
C124 C 0.5422(8) 0.6314(10) 0.0951(5) 0.171(10) Uani 1 1 d GU .
H124 H 0.5260 0.6816 0.1016 0.205 Uiso 1 1 calc R .
C125 C 0.4618(12) 0.4331(13) 0.0834(11) 0.164(12) Uani 1 1 d D .
H12A H 0.4902 0.3874 0.0752 0.246 Uiso 1 1 calc R .
H12B H 0.4129 0.4332 0.0544 0.246 Uiso 1 1 calc R .
H12C H 0.4470 0.4339 0.1200 0.246 Uiso 1 1 calc R .
C126 C 0.6339(19) 0.4170(17) 0.0655(13) 0.28(2) Uani 1 1 d D .
H12D H 0.5993 0.3719 0.0645 0.413 Uiso 1 1 calc R .
H12E H 0.6819 0.4180 0.0955 0.413 Uiso 1 1 calc R .
H12F H 0.6503 0.4160 0.0294 0.413 Uiso 1 1 calc R .
C127 C 0.4860(9) 0.3398(11) 0.3702(6) 0.118(8) Uani 1 1 d D .
H12G H 0.4919 0.3943 0.3850 0.142 Uiso 1 1 d R .
H12H H 0.4910 0.3133 0.4035 0.142 Uiso 1 1 d R .
C128 C 0.5614(11) 0.3254(16) 0.3501(9) 0.164(11) Uani 1 1 d . .
H12I H 0.6067 0.3537 0.3766 0.247 Uiso 1 1 calc R .
H12J H 0.5570 0.3417 0.3131 0.247 Uiso 1 1 calc R .
H12K H 0.5704 0.2713 0.3472 0.247 Uiso 1 1 calc R .
C129 C 0.4950(10) 0.5638(9) 0.3278(6) 0.081(5) Uani 1 1 d . .
H12L H 0.5396 0.5372 0.3482 0.097 Uiso 1 1 calc R .
H12M H 0.5150 0.6166 0.3289 0.097 Uiso 1 1 calc R .
C130 C 0.4280(13) 0.5644(11) 0.3578(8) 0.118(7) Uani 1 1 d . .
H13A H 0.4470 0.5888 0.3965 0.177 Uiso 1 1 calc R .
H13B H 0.4083 0.5123 0.3577 0.177 Uiso 1 1 calc R .
H13C H 0.3843 0.5923 0.3390 0.177 Uiso 1 1 calc R .
C131 C 0.358(5) 0.784(4) 0.024(3) 0.34(4) Uani 1 1 d D .
H13D H 0.3264 0.7451 -0.0056 0.411 Uiso 1 1 d R .
H13E H 0.3612 0.7705 0.0616 0.411 Uiso 1 1 d R .
C132 C 0.336(2) 0.863(3) 0.015(2) 0.28(3) Uani 1 1 d D .
H13F H 0.2862 0.8655 -0.0194 0.339 Uiso 1 1 d R .
H13G H 0.2911 0.8908 0.0348 0.339 Uiso 1 1 d R .
C133 C 0.418(5) 0.908(2) 0.033(2) 0.39(5) Uani 1 1 d D .
H13H H 0.4534 0.9582 0.0312 0.464 Uiso 1 1 d R .
H13I H 0.4090 0.9366 0.0727 0.464 Uiso 1 1 d R .
C134 C 0.473(3) 0.864(6) 0.007(2) 0.31(4) Uani 1 1 d D .
H13J H 0.4701 0.8750 -0.0313 0.372 Uiso 1 1 d R .
H13K H 0.5291 0.8680 0.0289 0.372 Uiso 1 1 d R .
N1 N 0.3639(5) 0.1002(6) 0.6273(4) 0.049(3) Uani 1 1 d . .
N2 N 0.3041(5) 0.2527(5) 0.6403(4) 0.046(3) Uani 1 1 d . .
N3 N 0.2508(6) 0.1784(6) 0.4346(5) 0.055(3) Uani 1 1 d . .
N4 N 0.2616(5) 0.3431(5) 0.4603(5) 0.051(3) Uani 1 1 d . .
N5 N 0.2726(7) 0.3689(6) 0.1804(5) 0.061(3) Uani 1 1 d . .
N6 N 0.4176(7) 0.3017(6) 0.1553(5) 0.064(3) Uani 1 1 d . .
N7 N 0.2746(6) 0.6514(6) 0.1566(4) 0.057(3) Uani 1 1 d . .
N8 N 0.4059(6) 0.5812(6) 0.1067(4) 0.058(3) Uani 1 1 d . .
O1 O 0.0965(4) 0.1714(5) 0.5402(4) 0.051(2) Uani 1 1 d . .
O2 O 0.1959(5) 0.4213(6) 0.0274(4) 0.071(3) Uani 1 1 d . .
O3 O 0.4980(6) 0.2376(6) 0.6923(5) 0.115(5) Uani 1 1 d D .
O4 O 0.4378(8) 0.2448(7) 0.5713(5) 0.109(4) Uani 1 1 d . .
O5 O 0.4356(5) 0.2541(5) 0.4731(4) 0.071(3) Uani 1 1 d . .
O6 O 0.3464(6) 0.2766(8) 0.3629(4) 0.128(6) Uani 1 1 d D .
O7 O 0.3929(5) 0.2899(5) 0.2780(3) 0.063(3) Uani 1 1 d D .
O8 O 0.4446(6) 0.4425(5) 0.2632(4) 0.082(3) Uani 1 1 d . .
O9 O 0.3970(5) 0.5590(5) 0.2344(4) 0.073(3) Uani 1 1 d . .
O10 O 0.4654(6) 0.7155(6) 0.2105(5) 0.108(4) Uani 1 1 d . .
O11 O 0.430(4) 0.797(5) 0.008(2) 0.47(5) Uani 1 1 d D .
S1 S 0.4987(4) 0.2160(4) 0.7527(3) 0.056(3) Uani 0.520(11) 1 d PDU 1
S1S S 0.5612(4) 0.2265(4) 0.7365(3) 0.065(3) Uani 0.480(11) 1 d PDU 2
S2 S 0.4606(2) 0.2058(2) 0.5203(2) 0.0744(12) Uani 1 1 d D .
S3S S 0.4099(4) 0.2738(6) 0.3348(3) 0.051(4) Uani 0.437(15) 1 d PDU 2
S3 S 0.3877(5) 0.3268(5) 0.3383(2) 0.061(3) Uani 0.563(15) 1 d PDU 1
S4 S 0.4713(2) 0.5210(2) 0.25745(17) 0.0680(11) Uani 1 1 d D .
Zn1 Zn 0.40399(8) 0.20516(9) 0.63392(6) 0.0512(5) Uani 1 1 d D .
Zn2 Zn 0.32514(9) 0.26292(9) 0.43347(7) 0.0564(5) Uani 1 1 d D .
Zn3 Zn 0.38245(10) 0.35394(9) 0.21964(7) 0.0621(5) Uani 1 1 d D .
Zn4 Zn 0.39011(9) 0.63023(9) 0.17837(7) 0.0557(5) Uani 1 1 d 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
O1 C1 C2 115.8(10) . .
O1 C1 C6 122.9(11) . .
C2 C1 C6 121.2(12) . .
C1 C2 C3 120.2(11) . .
C1 C2 C24 120.9(11) . .
C3 C2 C24 118.8(11) . .
C2 C3 C4 119.6(13) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 118.5(12) . .
C5 C4 C14 122.2(11) . .
C3 C4 C14 119.2(13) . .
C4 C5 C6 122.8(11) . .
C4 C5 H5 118.6 . .
C6 C5 H5 118.6 . .
C5 C6 C1 117.5(11) . .
C5 C6 C7 120.1(10) . .
C1 C6 C7 122.4(12) . .
C6 C7 C19 111.4(11) . .
C6 C7 C18 109.7(11) . .
C19 C7 C18 110.0(10) . .
C6 C7 C8 111.3(9) . .
C19 C7 C8 107.5(11) . .
C18 C7 C8 106.8(11) . .
C9 C8 C13 118.9(12) . .
C9 C8 C7 122.6(11) . .
C13 C8 C7 118.4(11) . .
C10 C9 C8 124.1(12) . .
C10 C9 H9 117.9 . .
C8 C9 H9 117.9 . .
C9 C10 C11 115.6(12) . .
C9 C10 C20 121.3(13) . .
C11 C10 C20 122.8(13) . .
C10 C11 C12 124.3(13) . .
C10 C11 H11 117.9 . .
C12 C11 H11 117.9 . .
C11 C12 C13 117.3(12) . .
C11 C12 C27 120.3(12) . .
C13 C12 C27 122.3(12) . .
O1 C13 C12 115.6(10) . .
O1 C13 C8 124.9(11) . .
C12 C13 C8 119.5(12) . .
C15 C14 C16 111(3) . .
C15 C14 C17 112(3) . .
C16 C14 C17 94(2) . .
C15 C14 C4 114.5(13) . .
C16 C14 C4 111.4(14) . .
C17 C14 C4 112.2(16) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C7 C18 H18A 109.5 . .
C7 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C7 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C7 C19 H19A 109.5 . .
C7 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C7 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C10 111.9(13) . .
C21 C20 C23 111.4(15) . .
C10 C20 C23 110.4(14) . .
C21 C20 C22 109.3(15) . .
C10 C20 C22 106.6(14) . .
C23 C20 C22 107.0(15) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C26 124.7(10) . .
C25 C24 C2 118.0(10) . .
C26 C24 C2 116.9(11) . .
N1 C25 C24 128.5(11) . .
N1 C25 H25 115.7 . .
C24 C25 H25 115.7 . .
N2 C26 C24 126.9(12) . .
N2 C26 H26 116.6 . .
C24 C26 H26 116.6 . .
C28 C27 C29 123.8(12) . .
C28 C27 C12 115.3(11) . .
C29 C27 C12 120.8(12) . .
N3 C28 C27 127.2(11) . .
N3 C28 H28 116.4 . .
C27 C28 H28 116.4 . .
N4 C29 C27 128.2(13) . .
N4 C29 H29 115.9 . .
C27 C29 H29 115.9 . .
C35 C30 C31 119.5(14) . .
C35 C30 N1 119.6(13) . .
C31 C30 N1 121.0(13) . .
C30 C31 C32 121.2(15) . .
C30 C31 C36 121.3(14) . .
C32 C31 C36 117.5(16) . .
C33 C32 C31 115.2(16) . .
C33 C32 C37 122.3(17) . .
C31 C32 C37 122.5(17) . .
C34 C33 C32 123.4(16) . .
C34 C33 H33 118.3 . .
C32 C33 H33 118.3 . .
C33 C34 C35 120.2(16) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C35 C30 120.5(15) . .
C34 C35 H35 119.7 . .
C30 C35 H35 119.7 . .
C31 C36 H36A 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C31 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C32 C37 H37A 109.5 . .
C32 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C32 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C43 C38 C39 121.6(13) . .
C43 C38 N2 117.5(13) . .
C39 C38 N2 120.9(13) . .
C38 C39 C40 118.3(14) . .
C38 C39 C44 122.0(12) . .
C40 C39 C44 119.6(13) . .
C41 C40 C39 119.7(14) . .
C41 C40 C45 119.7(14) . .
C39 C40 C45 120.6(15) . .
C42 C41 C40 121.2(15) . .
C42 C41 H41 119.4 . .
C40 C41 H41 119.4 . .
C41 C42 C43 120.3(16) . .
C41 C42 H42 119.8 . .
C43 C42 H42 119.8 . .
C38 C43 C42 118.8(14) . .
C38 C43 H43 120.6 . .
C42 C43 H43 120.6 . .
C39 C44 H44A 109.5 . .
C39 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C39 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C40 C45 H45A 109.5 . .
C40 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C40 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C51 C46 C47 119.5(15) . .
C51 C46 N3 121.0(13) . .
C47 C46 N3 119.5(14) . .
C48 C47 C46 119.2(17) . .
C48 C47 C52 123.1(17) . .
C46 C47 C52 117.6(16) . .
C49 C48 C47 119.3(17) . .
C49 C48 C53 123.3(19) . .
C47 C48 C53 117(2) . .
C50 C49 C48 122.9(18) . .
C50 C49 H49 118.6 . .
C48 C49 H49 118.6 . .
C49 C50 C51 120.8(18) . .
C49 C50 H50 119.6 . .
C51 C50 H50 119.6 . .
C50 C51 C46 118.3(16) . .
C50 C51 H51 120.9 . .
C46 C51 H51 120.9 . .
C47 C52 H52A 109.5 . .
C47 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C47 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C48 C53 H53A 109.5 . .
C48 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C48 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C55 C54 C59 118.5(12) . .
C55 C54 N4 125.3(11) . .
C59 C54 N4 116.2(13) . .
C54 C55 C56 122.0(12) . .
C54 C55 C60 119.7(12) . .
C56 C55 C60 118.1(14) . .
C57 C56 C55 118.4(14) . .
C57 C56 C61 119.0(12) . .
C55 C56 C61 122.6(13) . .
C56 C57 C58 120.1(12) . .
C56 C57 H57 119.9 . .
C58 C57 H57 119.9 . .
C59 C58 C57 120.4(13) . .
C59 C58 H58 119.8 . .
C57 C58 H58 119.8 . .
C58 C59 C54 120.5(14) . .
C58 C59 H59 119.8 . .
C54 C59 H59 119.8 . .
C55 C60 H60A 109.5 . .
C55 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C55 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C56 C61 H61A 109.5 . .
C56 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C56 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C63 C62 S1S 134(2) . .
C63 C62 S1 122(2) . .
C63 C62 H62A 106.1 . .
S1S C62 H62A 102.6 . .
S1 C62 H62A 132.3 . .
C63 C62 H62B 103.3 . .
S1S C62 H62B 102.5 . .
S1 C62 H62B 65.2 . .
H62A C62 H62B 105.2 . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C65 C64 S2 113.2(13) . .
C65 C64 H64A 108.9 . .
S2 C64 H64A 108.9 . .
C65 C64 H64B 108.9 . .
S2 C64 H64B 108.9 . .
H64A C64 H64B 107.8 . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
O2 C66 C67 118.5(13) . .
O2 C66 C71 119.6(17) . .
C67 C66 C71 121.8(16) . .
C68 C67 C66 119.6(14) . .
C68 C67 C89 117.8(16) . .
C66 C67 C89 122.4(15) . .
C67 C68 C69 119.3(19) . .
C67 C68 H68 120.4 . .
C69 C68 H68 120.4 . .
C70 C69 C68 117.8(18) . .
C70 C69 C79 122.9(19) . .
C68 C69 C79 119(2) . .
C71 C70 C69 124.9(17) . .
C71 C70 H70 117.6 . .
C69 C70 H70 117.6 . .
C70 C71 C66 116.0(19) . .
C70 C71 C72 127.3(16) . .
C66 C71 C72 116.5(16) . .
C73 C72 C71 106.2(14) . .
C73 C72 C83 111.1(16) . .
C71 C72 C83 112.0(17) . .
C73 C72 C84 108.0(16) . .
C71 C72 C84 111.5(18) . .
C83 C72 C84 108.0(13) . .
C74 C73 C78 118.2(14) . .
C74 C73 C72 123.9(13) . .
C78 C73 C72 117.5(16) . .
C73 C74 C75 122.4(13) . .
C73 C74 H74 118.8 . .
C75 C74 H74 118.8 . .
C76 C75 C74 116.4(17) . .
C76 C75 C85 124.3(16) . .
C74 C75 C85 119.2(14) . .
C75 C76 C77 123.3(15) . .
C75 C76 H76 118.4 . .
C77 C76 H76 118.4 . .
C78 C77 C76 117.4(12) . .
C78 C77 C92 125.3(14) . .
C76 C77 C92 117.3(12) . .
O2 C78 C77 117.1(12) . .
O2 C78 C73 120.6(14) . .
C77 C78 C73 122.3(15) . .
C82 C79 C80 120(4) . .
C82 C79 C69 113(3) . .
C80 C79 C69 113(2) . .
C82 C79 C81 107(3) . .
C80 C79 C81 96(3) . .
C69 C79 C81 107(3) . .
C79 C80 H80A 109.5 . .
C79 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C79 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C79 C81 H81A 109.5 . .
C79 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C79 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C79 C82 H82A 109.5 . .
C79 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C79 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C72 C83 H83A 109.5 . .
C72 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C72 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C72 C84 H84A 109.5 . .
C72 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C72 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C87 C85 C88 110(2) . .
C87 C85 C86 112.3(17) . .
C88 C85 C86 107(2) . .
C87 C85 C75 107.6(18) . .
C88 C85 C75 111.4(16) . .
C86 C85 C75 108.7(19) . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C85 C87 H87A 109.5 . .
C85 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C85 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C85 C88 H88A 109.5 . .
C85 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C85 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C90 C89 C91 125.2(15) . .
C90 C89 C67 118.9(16) . .
C91 C89 C67 115.6(15) . .
N6 C90 C89 126.9(15) . .
N6 C90 H90 116.6 . .
C89 C90 H90 116.6 . .
N5 C91 C89 127.5(15) . .
N5 C91 H91 116.2 . .
C89 C91 H91 116.2 . .
C94 C92 C93 126.5(11) . .
C94 C92 C77 118.1(12) . .
C93 C92 C77 114.7(12) . .
N8 C93 C92 125.7(13) . .
N8 C93 H93 117.2 . .
C92 C93 H93 117.2 . .
N7 C94 C92 129.4(12) . .
N7 C94 H94 115.3 . .
C92 C94 H94 115.3 . .
C100 C95 N5 118.5(15) . .
C100 C95 C96 120.0(19) . .
N5 C95 C96 121.4(18) . .
C97 C96 C95 120(2) . .
C97 C96 C101 123(2) . .
C95 C96 C101 118(2) . .
C98 C97 C96 115(2) . .
C98 C97 C102 129(3) . .
C96 C97 C102 116(3) . .
C99 C98 C97 124(3) . .
C99 C98 H98 118.0 . .
C97 C98 H98 118.0 . .
C100 C99 C98 124(3) . .
C100 C99 H99 118.2 . .
C98 C99 H99 118.2 . .
C99 C100 C95 118(2) . .
C99 C100 H100 121.2 . .
C95 C100 H100 121.2 . .
C96 C101 H10A 109.5 . .
C96 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C96 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
C97 C102 H10D 109.5 . .
C97 C102 H10E 109.5 . .
H10D C102 H10E 109.5 . .
C97 C102 H10F 109.5 . .
H10D C102 H10F 109.5 . .
H10E C102 H10F 109.5 . .
N6 C103 C108 125.3(15) . .
N6 C103 C104 118.2(14) . .
C108 C103 C104 116.4(17) . .
C105 C104 C103 123.0(19) . .
C105 C104 H104 118.5 . .
C103 C104 H104 118.5 . .
C104 C105 C106 121(2) . .
C104 C105 H105 119.6 . .
C106 C105 H105 119.6 . .
C105 C106 C107 120(2) . .
C105 C106 H106 119.8 . .
C107 C106 H106 119.8 . .
C106 C107 C108 120.3(19) . .
C106 C107 C110 121(2) . .
C108 C107 C110 118(2) . .
C107 C108 C103 118.9(18) . .
C107 C108 C109 122.9(19) . .
C103 C108 C109 117.8(18) . .
C108 C109 H10G 109.5 . .
C108 C109 H10H 109.5 . .
H10G C109 H10H 109.5 . .
C108 C109 H10I 109.5 . .
H10G C109 H10I 109.5 . .
H10H C109 H10I 109.5 . .
C107 C110 H11A 109.5 . .
C107 C110 H11B 109.5 . .
H11A C110 H11B 109.5 . .
C107 C110 H11C 109.5 . .
H11A C110 H11C 109.5 . .
H11B C110 H11C 109.5 . .
C112 C111 C116 122.8(14) . .
C112 C111 N7 119.2(14) . .
C116 C111 N7 117.9(14) . .
C111 C112 C113 115.4(15) . .
C111 C112 C117 123.8(15) . .
C113 C112 C117 120.8(16) . .
C114 C113 C112 122.5(18) . .
C114 C113 C118 116.9(19) . .
C112 C113 C118 120.6(19) . .
C113 C114 C115 120.0(19) . .
C113 C114 H114 120.0 . .
C115 C114 H114 120.0 . .
C116 C115 C114 119.2(18) . .
C116 C115 H115 120.4 . .
C114 C115 H115 120.4 . .
C115 C116 C111 119.8(16) . .
C115 C116 H116 120.1 . .
C111 C116 H116 120.1 . .
C112 C117 H11D 109.5 . .
C112 C117 H11E 109.5 . .
H11D C117 H11E 109.5 . .
C112 C117 H11F 109.5 . .
H11D C117 H11F 109.5 . .
H11E C117 H11F 109.5 . .
C113 C118 H11G 109.5 . .
C113 C118 H11H 109.5 . .
H11G C118 H11H 109.5 . .
C113 C118 H11I 109.5 . .
H11G C118 H11I 109.5 . .
H11H C118 H11I 109.5 . .
C120 C119 C124 120.0 . .
C120 C119 N8 117.5(12) . .
C124 C119 N8 122.4(12) . .
C119 C120 C121 120.0 . .
C119 C120 C125 123.3(16) . .
C121 C120 C125 116.7(16) . .
C122 C121 C120 120.0 . .
C122 C121 C126 105(2) . .
C120 C121 C126 135(2) . .
C121 C122 C123 120.0 . .
C121 C122 H122 120.0 . .
C123 C122 H122 120.0 . .
C124 C123 C122 120.0 . .
C124 C123 H123 120.0 . .
C122 C123 H123 120.0 . .
C123 C124 C119 120.0 . .
C123 C124 H124 120.0 . .
C119 C124 H124 120.0 . .
C120 C125 H12A 109.5 . .
C120 C125 H12B 109.5 . .
H12A C125 H12B 109.5 . .
C120 C125 H12C 109.5 . .
H12A C125 H12C 109.5 . .
H12B C125 H12C 109.5 . .
C121 C126 H12D 109.5 . .
C121 C126 H12E 109.5 . .
H12D C126 H12E 109.5 . .
C121 C126 H12F 109.5 . .
H12D C126 H12F 109.5 . .
H12E C126 H12F 109.5 . .
C128 C127 S3 132.7(13) . .
C128 C127 S3S 110.5(14) . .
C128 C127 H12G 103.6 . .
S3 C127 H12G 103.1 . .
C128 C127 H12H 104.4 . .
S3 C127 H12H 104.9 . .
H12G C127 H12H 105.7 . .
C127 C128 H12I 109.5 . .
C127 C128 H12J 109.5 . .
H12I C128 H12J 109.5 . .
C127 C128 H12K 109.5 . .
H12I C128 H12K 109.5 . .
H12J C128 H12K 109.5 . .
C130 C129 S4 115.3(12) . .
C130 C129 H12L 108.4 . .
S4 C129 H12L 108.4 . .
C130 C129 H12M 108.4 . .
S4 C129 H12M 108.4 . .
H12L C129 H12M 107.5 . .
C129 C130 H13A 109.5 . .
C129 C130 H13B 109.5 . .
H13A C130 H13B 109.5 . .
C129 C130 H13C 109.5 . .
H13A C130 H13C 109.5 . .
H13B C130 H13C 109.5 . .
O11 C131 C132 90(4) . .
O11 C131 H13D 106.8 . .
C132 C131 H13D 113.5 . .
O11 C131 H13E 116.3 . .
C132 C131 H13E 117.1 . .
H13D C131 H13E 111.4 . .
C131 C132 C133 103(3) . .
C131 C132 H13F 113.5 . .
C133 C132 H13F 131.4 . .
C131 C132 H13G 121.6 . .
C133 C132 H13G 111.3 . .
H13F C132 H13G 76.3 . .
C134 C133 C132 106(3) . .
C134 C133 H13H 89.0 . .
C132 C133 H13H 147.3 . .
C134 C133 H13I 143.6 . .
C132 C133 H13I 97.4 . .
H13H C133 H13I 85.6 . .
O11 C134 C133 92(4) . .
O11 C134 H13J 111.8 . .
C133 C134 H13J 110.2 . .
O11 C134 H13K 114.8 . .
C133 C134 H13K 115.2 . .
H13J C134 H13K 111.4 . .
C25 N1 C30 118.1(10) . .
C25 N1 Zn1 119.3(9) . .
C30 N1 Zn1 122.6(7) . .
C26 N2 C38 115.3(10) . .
C26 N2 Zn1 121.6(8) . .
C38 N2 Zn1 123.1(6) . .
C28 N3 C46 112.9(10) . .
C28 N3 Zn2 122.1(9) . .
C46 N3 Zn2 124.4(7) . .
C29 N4 C54 119.4(11) . .
C29 N4 Zn2 121.0(8) . .
C54 N4 Zn2 119.6(7) . .
C91 N5 C95 115.0(12) . .
C91 N5 Zn3 121.2(11) . .
C95 N5 Zn3 123.8(9) . .
C90 N6 C103 117.0(13) . .
C90 N6 Zn3 122.1(11) . .
C103 N6 Zn3 120.9(10) . .
C94 N7 C111 118.5(11) . .
C94 N7 Zn4 117.3(9) . .
C111 N7 Zn4 124.1(8) . .
C93 N8 C119 117.5(11) . .
C93 N8 Zn4 120.0(9) . .
C119 N8 Zn4 122.4(7) . .
C13 O1 C1 119.0(9) . .
C78 O2 C66 116.9(12) . .
S1 O3 Zn1 117.7(6) . .
S2 O4 Zn1 131.2(8) . .
S2 O5 Zn2 125.1(5) . .
S3 O6 Zn2 140.4(7) . .
S3 O7 Zn3 118.1(6) . .
S4 O8 Zn3 140.8(7) . .
S4 O9 Zn4 124.9(6) . .
S1 O10 Zn4 159.7(9) 2_666 .
C131 O11 C134 131(10) . .
O10 S1 O3 102.6(7) 2_666 .
O10 S1 C62 106.6(10) 2_666 .
O3 S1 C62 108.7(10) . .
O3 S1S C62 120.9(11) . .
O3 S1S O10 99.4(8) . 2_666
O4 S2 O5 107.7(7) . .
O4 S2 C64 101.2(8) . .
O5 S2 C64 100.9(7) . .
O6 S3S O7 117.1(8) . .
O6 S3S C127 109.5(9) . .
O7 S3S C127 105.0(7) . .
O6 S3 O7 109.4(7) . .
O6 S3 C127 111.7(9) . .
O7 S3 C127 101.8(7) . .
O9 S4 O8 106.7(6) . .
O9 S4 C129 102.3(7) . .
O8 S4 C129 101.7(7) . .
O3 Zn1 N2 117.4(5) . .
O3 Zn1 N1 116.5(4) . .
N2 Zn1 N1 97.9(4) . .
O3 Zn1 O4 99.3(5) . .
N2 Zn1 O4 104.9(5) . .
N1 Zn1 O4 121.4(5) . .
O6 Zn2 N4 110.8(6) . .
O6 Zn2 N3 116.6(5) . .
N4 Zn2 N3 97.3(4) . .
O6 Zn2 O5 98.6(5) . .
N4 Zn2 O5 120.0(4) . .
N3 Zn2 O5 114.7(4) . .
N6 Zn3 O7 109.4(5) . .
N6 Zn3 O8 119.8(5) . .
O7 Zn3 O8 98.4(4) . .
N6 Zn3 N5 96.6(5) . .
O7 Zn3 N5 116.8(4) . .
O8 Zn3 N5 116.9(5) . .
N8 Zn4 O10 113.7(5) . .
N8 Zn4 N7 99.1(4) . .
O10 Zn4 N7 117.2(5) . .
N8 Zn4 O9 112.0(4) . .
O10 Zn4 O9 108.0(5) . .
N7 Zn4 O9 106.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.375(14) .
C1 C2 1.392(17) .
C1 C6 1.412(14) .
C2 C3 1.414(17) .
C2 C24 1.497(14) .
C3 C4 1.421(16) .
C3 H3 0.9500 .
C4 C5 1.396(19) .
C4 C14 1.513(19) .
C5 C6 1.407(18) .
C5 H5 0.9500 .
C6 C7 1.501(17) .
C7 C19 1.541(17) .
C7 C18 1.546(17) .
C7 C8 1.581(18) .
C8 C9 1.393(19) .
C8 C13 1.415(15) .
C9 C10 1.37(2) .
C9 H9 0.9500 .
C10 C11 1.400(17) .
C10 C20 1.499(15) .
C11 C12 1.408(19) .
C11 H11 0.9500 .
C12 C13 1.409(17) .
C12 C27 1.498(16) .
C13 O1 1.368(14) .
C14 C15 1.35(3) .
C14 C16 1.44(3) .
C14 C17 1.45(3) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.473(17) .
C20 C23 1.504(16) .
C20 C22 1.567(18) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.392(16) .
C24 C26 1.400(16) .
C25 N1 1.335(13) .
C25 H25 0.9500 .
C26 N2 1.309(12) .
C26 H26 0.9500 .
C27 C28 1.404(17) .
C27 C29 1.408(16) .
C28 N3 1.303(15) .
C28 H28 0.9500 .
C29 N4 1.314(14) .
C29 H29 0.9500 .
C30 C35 1.375(17) .
C30 C31 1.393(19) .
C30 N1 1.436(16) .
C31 C32 1.43(2) .
C31 C36 1.61(2) .
C32 C33 1.39(2) .
C32 C37 1.54(3) .
C33 C34 1.36(2) .
C33 H33 0.9500 .
C34 C35 1.36(2) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C43 1.380(18) .
C38 C39 1.385(18) .
C38 N2 1.470(15) .
C39 C40 1.419(17) .
C39 C44 1.525(19) .
C40 C41 1.38(2) .
C40 C45 1.495(19) .
C41 C42 1.36(2) .
C41 H41 0.9500 .
C42 C43 1.412(19) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C51 1.395(18) .
C46 C47 1.454(19) .
C46 N3 1.460(16) .
C47 C48 1.37(2) .
C47 C52 1.55(2) .
C48 C49 1.36(3) .
C48 C53 1.46(2) .
C49 C50 1.36(2) .
C49 H49 0.9500 .
C50 C51 1.39(2) .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 C55 1.366(18) .
C54 C59 1.416(17) .
C54 N4 1.438(15) .
C55 C56 1.398(17) .
C55 C60 1.543(18) .
C56 C57 1.390(18) .
C56 C61 1.50(2) .
C57 C58 1.395(19) .
C57 H57 0.9500 .
C58 C59 1.357(17) .
C58 H58 0.9500 .
C59 H59 0.9500 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 C63 1.425(17) .
C62 S1S 1.632(17) .
C62 S1 1.673(18) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.46(2) .
C64 S2 1.791(15) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 O2 1.381(18) .
C66 C67 1.41(2) .
C66 C71 1.42(2) .
C67 C68 1.36(2) .
C67 C89 1.54(2) .
C68 C69 1.45(2) .
C68 H68 0.9500 .
C69 C70 1.38(3) .
C69 C79 1.59(3) .
C70 C71 1.35(2) .
C70 H70 0.9500 .
C71 C72 1.51(3) .
C72 C73 1.49(2) .
C72 C83 1.531(15) .
C72 C84 1.573(17) .
C73 C74 1.37(2) .
C73 C78 1.408(19) .
C74 C75 1.43(2) .
C74 H74 0.9500 .
C75 C76 1.39(2) .
C75 C85 1.59(2) .
C76 C77 1.41(2) .
C76 H76 0.9500 .
C77 C78 1.380(17) .
C77 C92 1.473(17) .
C78 O2 1.365(16) .
C79 C82 1.47(5) .
C79 C80 1.53(4) .
C79 C81 1.61(5) .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 C87 1.52(3) .
C85 C88 1.56(3) .
C85 C86 1.57(3) .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 C90 1.38(2) .
C89 C91 1.39(2) .
C90 N6 1.323(17) .
C90 H90 0.9500 .
C91 N5 1.309(18) .
C91 H91 0.9500 .
C92 C94 1.378(18) .
C92 C93 1.408(17) .
C93 N8 1.344(14) .
C93 H93 0.9500 .
C94 N7 1.320(15) .
C94 H94 0.9500 .
C95 C100 1.39(2) .
C95 N5 1.432(19) .
C95 C96 1.44(2) .
C96 C97 1.42(3) .
C96 C101 1.51(3) .
C97 C98 1.37(4) .
C97 C102 1.56(3) .
C98 C99 1.34(3) .
C98 H98 0.9500 .
C99 C100 1.32(3) .
C99 H99 0.9500 .
C100 H100 0.9500 .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
C102 H10D 0.9800 .
C102 H10E 0.9800 .
C102 H10F 0.9800 .
C103 N6 1.415(18) .
C103 C108 1.45(2) .
C103 C104 1.45(2) .
C104 C105 1.33(2) .
C104 H104 0.9500 .
C105 C106 1.39(3) .
C105 H105 0.9500 .
C106 C107 1.41(3) .
C106 H106 0.9500 .
C107 C108 1.41(3) .
C107 C110 1.58(3) .
C108 C109 1.47(2) .
C109 H10G 0.9800 .
C109 H10H 0.9800 .
C109 H10I 0.9800 .
C110 H11A 0.9800 .
C110 H11B 0.9800 .
C110 H11C 0.9800 .
C111 C112 1.385(19) .
C111 C116 1.397(19) .
C111 N7 1.409(16) .
C112 C113 1.44(2) .
C112 C117 1.44(2) .
C113 C114 1.35(2) .
C113 C118 1.50(2) .
C114 C115 1.41(2) .
C114 H114 0.9500 .
C115 C116 1.38(2) .
C115 H115 0.9500 .
C116 H116 0.9500 .
C117 H11D 0.9800 .
C117 H11E 0.9800 .
C117 H11F 0.9800 .
C118 H11G 0.9800 .
C118 H11H 0.9800 .
C118 H11I 0.9800 .
C119 C120 1.3900 .
C119 C124 1.3900 .
C119 N8 1.510(15) .
C120 C121 1.3900 .
C120 C125 1.408(17) .
C121 C122 1.3900 .
C121 C126 1.462(19) .
C122 C123 1.3900 .
C122 H122 0.9500 .
C123 C124 1.3900 .
C123 H123 0.9500 .
C124 H124 0.9500 .
C125 H12A 0.9800 .
C125 H12B 0.9800 .
C125 H12C 0.9800 .
C126 H12D 0.9800 .
C126 H12E 0.9800 .
C126 H12F 0.9800 .
C127 C128 1.48(3) .
C127 S3 1.690(14) .
C127 S3S 1.734(13) .
C127 H12G 0.9900 .
C127 H12H 0.9900 .
C128 H12I 0.9800 .
C128 H12J 0.9800 .
C128 H12K 0.9800 .
C129 C130 1.47(2) .
C129 S4 1.757(15) .
C129 H12L 0.9900 .
C129 H12M 0.9900 .
C130 H13A 0.9800 .
C130 H13B 0.9800 .
C130 H13C 0.9800 .
C131 O11 1.38(8) .
C131 C132 1.50(7) .
C131 H13D 0.9899 .
C131 H13E 0.9900 .
C132 C133 1.54(7) .
C132 H13F 1.0800 .
C132 H13G 1.0801 .
C133 C134 1.42(7) .
C133 H13H 1.0800 .
C133 H13I 1.0800 .
C134 O11 1.38(8) .
C134 H13J 0.9900 .
C134 H13K 0.9900 .
N1 Zn1 1.954(9) .
N2 Zn1 1.944(10) .
N3 Zn2 1.949(9) .
N4 Zn2 1.945(10) .
N5 Zn3 1.962(11) .
N6 Zn3 1.937(12) .
N7 Zn4 1.987(11) .
N8 Zn4 1.934(11) .
O3 S1S 1.405(10) .
O3 S1 1.582(11) .
O3 Zn1 1.935(8) .
O4 S2 1.479(12) .
O4 Zn1 1.956(12) .
O5 S2 1.538(10) .
O5 Zn2 1.952(9) .
O6 S3S 1.390(10) .
O6 S3 1.394(10) .
O6 Zn2 1.887(10) .
O7 S3S 1.438(9) .
O7 S3 1.560(9) .
O7 Zn3 1.937(9) .
O8 S4 1.496(9) .
O8 Zn3 1.940(8) .
O9 S4 1.495(10) .
O9 Zn4 1.988(11) .
O10 S1 1.460(10) 2_666
O10 S1S 1.698(14) 2_666
O10 Zn4 1.934(8) .
S1 O10 1.460(10) 2_666
S1 H62B 1.5462 .
S1S O10 1.698(14) 2_666
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 C1 C2 C3 -173.7(12) . .
C6 C1 C2 C3 5(2) . .
O1 C1 C2 C24 8.3(18) . .
C6 C1 C2 C24 -173.1(12) . .
C1 C2 C3 C4 -2(2) . .
C24 C2 C3 C4 176.1(12) . .
C2 C3 C4 C5 -1(2) . .
C2 C3 C4 C14 178.8(13) . .
C3 C4 C5 C6 1(2) . .
C14 C4 C5 C6 -178.9(13) . .
C4 C5 C6 C1 2(2) . .
C4 C5 C6 C7 -178.4(13) . .
O1 C1 C6 C5 173.7(12) . .
C2 C1 C6 C5 -4.8(19) . .
O1 C1 C6 C7 -6.0(19) . .
C2 C1 C6 C7 175.5(12) . .
C5 C6 C7 C19 57.5(16) . .
C1 C6 C7 C19 -122.8(13) . .
C5 C6 C7 C18 -64.6(16) . .
C1 C6 C7 C18 115.1(13) . .
C5 C6 C7 C8 177.5(12) . .
C1 C6 C7 C8 -2.8(17) . .
C6 C7 C8 C9 -173.0(13) . .
C19 C7 C8 C9 -50.7(17) . .
C18 C7 C8 C9 67.3(17) . .
C6 C7 C8 C13 9.1(17) . .
C19 C7 C8 C13 131.4(12) . .
C18 C7 C8 C13 -110.5(13) . .
C13 C8 C9 C10 3(2) . .
C7 C8 C9 C10 -175.0(15) . .
C8 C9 C10 C11 0(3) . .
C8 C9 C10 C20 173.5(16) . .
C9 C10 C11 C12 0(3) . .
C20 C10 C11 C12 -173.2(17) . .
C10 C11 C12 C13 -3(2) . .
C10 C11 C12 C27 173.8(15) . .
C11 C12 C13 O1 -174.2(13) . .
C27 C12 C13 O1 8.8(19) . .
C11 C12 C13 C8 6(2) . .
C27 C12 C13 C8 -171.2(12) . .
C9 C8 C13 O1 174.3(13) . .
C7 C8 C13 O1 -7.7(19) . .
C9 C8 C13 C12 -6(2) . .
C7 C8 C13 C12 172.2(12) . .
C5 C4 C14 C15 -157(3) . .
C3 C4 C14 C15 24(3) . .
C5 C4 C14 C16 77(3) . .
C3 C4 C14 C16 -103(3) . .
C5 C4 C14 C17 -27(3) . .
C3 C4 C14 C17 153(3) . .
C9 C10 C20 C21 162(2) . .
C11 C10 C20 C21 -25(3) . .
C9 C10 C20 C23 37(3) . .
C11 C10 C20 C23 -150(2) . .
C9 C10 C20 C22 -79(3) . .
C11 C10 C20 C22 94(3) . .
C1 C2 C24 C25 -133.3(14) . .
C3 C2 C24 C25 48.7(18) . .
C1 C2 C24 C26 53.5(17) . .
C3 C2 C24 C26 -124.4(14) . .
C26 C24 C25 N1 -5(2) . .
C2 C24 C25 N1 -177.8(12) . .
C25 C24 C26 N2 3(2) . .
C2 C24 C26 N2 175.4(11) . .
C11 C12 C27 C28 -124.6(15) . .
C13 C12 C27 C28 52.4(18) . .
C11 C12 C27 C29 51(2) . .
C13 C12 C27 C29 -132.4(14) . .
C29 C27 C28 N3 -8(2) . .
C12 C27 C28 N3 166.6(13) . .
C28 C27 C29 N4 1(2) . .
C12 C27 C29 N4 -173.4(13) . .
C35 C30 C31 C32 0(2) . .
N1 C30 C31 C32 -178.8(12) . .
C35 C30 C31 C36 177.4(12) . .
N1 C30 C31 C36 -1.3(19) . .
C30 C31 C32 C33 -1(2) . .
C36 C31 C32 C33 -178.3(14) . .
C30 C31 C32 C37 178.3(16) . .
C36 C31 C32 C37 1(2) . .
C31 C32 C33 C34 2(2) . .
C37 C32 C33 C34 -176.9(17) . .
C32 C33 C34 C35 -3(2) . .
C33 C34 C35 C30 2(2) . .
C31 C30 C35 C34 -0.4(18) . .
N1 C30 C35 C34 178.3(11) . .
C43 C38 C39 C40 3.5(18) . .
N2 C38 C39 C40 -179.5(10) . .
C43 C38 C39 C44 179.8(13) . .
N2 C38 C39 C44 -3.1(18) . .
C38 C39 C40 C41 -2.8(18) . .
C44 C39 C40 C41 -179.2(13) . .
C38 C39 C40 C45 179.1(12) . .
C44 C39 C40 C45 2.7(19) . .
C39 C40 C41 C42 1(2) . .
C45 C40 C41 C42 179.2(14) . .
C40 C41 C42 C43 0(2) . .
C39 C38 C43 C42 -2.5(19) . .
N2 C38 C43 C42 -179.6(11) . .
C41 C42 C43 C38 1(2) . .
C51 C46 C47 C48 2.4(17) . .
N3 C46 C47 C48 -178.2(11) . .
C51 C46 C47 C52 179.6(10) . .
N3 C46 C47 C52 -1.0(15) . .
C46 C47 C48 C49 -2(2) . .
C52 C47 C48 C49 -179.4(14) . .
C46 C47 C48 C53 -179.0(13) . .
C52 C47 C48 C53 4(2) . .
C47 C48 C49 C50 2(2) . .
C53 C48 C49 C50 178.0(15) . .
C48 C49 C50 C51 -1(2) . .
C49 C50 C51 C46 0.6(19) . .
C47 C46 C51 C50 -1.5(16) . .
N3 C46 C51 C50 179.1(10) . .
C59 C54 C55 C56 0(2) . .
N4 C54 C55 C56 177.1(13) . .
C59 C54 C55 C60 173.9(14) . .
N4 C54 C55 C60 -9(2) . .
C54 C55 C56 C57 -2(2) . .
C60 C55 C56 C57 -175.1(16) . .
C54 C55 C56 C61 176.3(16) . .
C60 C55 C56 C61 3(2) . .
C55 C56 C57 C58 4(2) . .
C61 C56 C57 C58 -174.1(16) . .
C56 C57 C58 C59 -5(2) . .
C57 C58 C59 C54 4(2) . .
C55 C54 C59 C58 -2(2) . .
N4 C54 C59 C58 -178.7(12) . .
O2 C66 C67 C68 -172.7(18) . .
C71 C66 C67 C68 5(3) . .
O2 C66 C67 C89 13(3) . .
C71 C66 C67 C89 -169.8(19) . .
C66 C67 C68 C69 2(3) . .
C89 C67 C68 C69 177(2) . .
C67 C68 C69 C70 -6(4) . .
C67 C68 C69 C79 171(3) . .
C68 C69 C70 C71 3(5) . .
C79 C69 C70 C71 -174(3) . .
C69 C70 C71 C66 4(4) . .
C69 C70 C71 C72 -172(3) . .
O2 C66 C71 C70 170(2) . .
C67 C66 C71 C70 -7(3) . .
O2 C66 C71 C72 -15(3) . .
C67 C66 C71 C72 168.2(19) . .
C70 C71 C72 C73 -139(2) . .
C66 C71 C72 C73 46(2) . .
C70 C71 C72 C83 -18(3) . .
C66 C71 C72 C83 167.0(18) . .
C70 C71 C72 C84 103(3) . .
C66 C71 C72 C84 -72(2) . .
C71 C72 C73 C74 144.7(17) . .
C83 C72 C73 C74 23(3) . .
C84 C72 C73 C74 -95(2) . .
C71 C72 C73 C78 -43(2) . .
C83 C72 C73 C78 -164.6(16) . .
C84 C72 C73 C78 77.2(19) . .
C78 C73 C74 C75 3(2) . .
C72 C73 C74 C75 175.3(17) . .
C73 C74 C75 C76 -3(2) . .
C73 C74 C75 C85 176.1(17) . .
C74 C75 C76 C77 3(2) . .
C85 C75 C76 C77 -176.6(17) . .
C75 C76 C77 C78 -2(2) . .
C75 C76 C77 C92 178.5(15) . .
C76 C77 C78 O2 178.2(13) . .
C92 C77 C78 O2 -2(2) . .
C76 C77 C78 C73 1(2) . .
C92 C77 C78 C73 -179.4(14) . .
C74 C73 C78 O2 -178.7(13) . .
C72 C73 C78 O2 8(2) . .
C74 C73 C78 C77 -1(2) . .
C72 C73 C78 C77 -174.4(16) . .
C70 C69 C79 C82 60(5) . .
C68 C69 C79 C82 -117(4) . .
C70 C69 C79 C80 -161(3) . .
C68 C69 C79 C80 22(5) . .
C70 C69 C79 C81 -57(4) . .
C68 C69 C79 C81 126(3) . .
C76 C75 C85 C87 -113.8(19) . .
C74 C75 C85 C87 67(2) . .
C76 C75 C85 C88 6(3) . .
C74 C75 C85 C88 -173(2) . .
C76 C75 C85 C86 124(2) . .
C74 C75 C85 C86 -55(2) . .
C68 C67 C89 C90 40(2) . .
C66 C67 C89 C90 -145.5(18) . .
C68 C67 C89 C91 -133.6(19) . .
C66 C67 C89 C91 41(2) . .
C91 C89 C90 N6 -2(3) . .
C67 C89 C90 N6 -174.8(14) . .
C90 C89 C91 N5 4(3) . .
C67 C89 C91 N5 177.1(14) . .
C78 C77 C92 C94 -108.6(17) . .
C76 C77 C92 C94 71.3(18) . .
C78 C77 C92 C93 80.8(18) . .
C76 C77 C92 C93 -99.3(17) . .
C94 C92 C93 N8 2(3) . .
C77 C92 C93 N8 171.6(14) . .
C93 C92 C94 N7 -4(3) . .
C77 C92 C94 N7 -172.9(15) . .
C100 C95 C96 C97 -3(2) . .
N5 C95 C96 C97 -179.3(14) . .
C100 C95 C96 C101 178.3(15) . .
N5 C95 C96 C101 3(2) . .
C95 C96 C97 C98 3(3) . .
C101 C96 C97 C98 -178.9(18) . .
C95 C96 C97 C102 -179.5(14) . .
C101 C96 C97 C102 -1(2) . .
C96 C97 C98 C99 -3(3) . .
C102 C97 C98 C99 -179.6(18) . .
C97 C98 C99 C100 3(4) . .
C98 C99 C100 C95 -3(3) . .
N5 C95 C100 C99 179.1(15) . .
C96 C95 C100 C99 3(3) . .
N6 C103 C104 C105 179.5(19) . .
C108 C103 C104 C105 2(3) . .
C103 C104 C105 C106 0(3) . .
C104 C105 C106 C107 -4(3) . .
C105 C106 C107 C108 5(3) . .
C105 C106 C107 C110 -179.7(19) . .
C106 C107 C108 C103 -3(3) . .
C110 C107 C108 C103 -178.4(16) . .
C106 C107 C108 C109 -176.1(18) . .
C110 C107 C108 C109 9(3) . .
N6 C103 C108 C107 -177.8(16) . .
C104 C103 C108 C107 0(2) . .
N6 C103 C108 C109 -4(3) . .
C104 C103 C108 C109 173.0(16) . .
C116 C111 C112 C113 -7.1(18) . .
N7 C111 C112 C113 177.2(11) . .
C116 C111 C112 C117 171.6(12) . .
N7 C111 C112 C117 -4.2(17) . .
C111 C112 C113 C114 5(2) . .
C117 C112 C113 C114 -173.8(14) . .
C111 C112 C113 C118 -175.4(13) . .
C117 C112 C113 C118 6(2) . .
C112 C113 C114 C115 -1(2) . .
C118 C113 C114 C115 179.5(15) . .
C113 C114 C115 C116 -1(2) . .
C114 C115 C116 C111 -1(2) . .
C112 C111 C116 C115 5.2(19) . .
N7 C111 C116 C115 -179.0(12) . .
C124 C119 C120 C121 0.0 . .
N8 C119 C120 C121 -175.8(10) . .
C124 C119 C120 C125 179.1(18) . .
N8 C119 C120 C125 3.3(18) . .
C119 C120 C121 C122 0.0 . .
C125 C120 C121 C122 -179.1(17) . .
C119 C120 C121 C126 180(2) . .
C125 C120 C121 C126 1(2) . .
C120 C121 C122 C123 0.0 . .
C126 C121 C122 C123 -179.9(18) . .
C121 C122 C123 C124 0.0 . .
C122 C123 C124 C119 0.0 . .
C120 C119 C124 C123 0.0 . .
N8 C119 C124 C123 175.6(10) . .
O11 C131 C132 C133 -34(6) . .
C131 C132 C133 C134 45(7) . .
C132 C133 C134 O11 -29(5) . .
C24 C25 N1 C30 175.1(13) . .
C24 C25 N1 Zn1 -2.6(18) . .
C35 C30 N1 C25 119.1(12) . .
C31 C30 N1 C25 -62.2(16) . .
C35 C30 N1 Zn1 -63.3(14) . .
C31 C30 N1 Zn1 115.4(11) . .
C24 C26 N2 C38 -175.0(13) . .
C24 C26 N2 Zn1 7.0(17) . .
C43 C38 N2 C26 -91.8(13) . .
C39 C38 N2 C26 91.0(13) . .
C43 C38 N2 Zn1 86.2(12) . .
C39 C38 N2 Zn1 -90.9(12) . .
C27 C28 N3 C46 178.9(14) . .
C27 C28 N3 Zn2 7.6(19) . .
C51 C46 N3 C28 -67.2(14) . .
C47 C46 N3 C28 113.4(12) . .
C51 C46 N3 Zn2 103.8(12) . .
C47 C46 N3 Zn2 -75.6(13) . .
C27 C29 N4 C54 -178.5(13) . .
C27 C29 N4 Zn2 4.4(19) . .
C55 C54 N4 C29 -50.9(19) . .
C59 C54 N4 C29 125.8(13) . .
C55 C54 N4 Zn2 126.2(13) . .
C59 C54 N4 Zn2 -57.1(14) . .
C89 C91 N5 C95 -177.8(15) . .
C89 C91 N5 Zn3 2(2) . .
C100 C95 N5 C91 -79.4(17) . .
C96 C95 N5 C91 96.5(16) . .
C100 C95 N5 Zn3 101.3(15) . .
C96 C95 N5 Zn3 -82.8(15) . .
C89 C90 N6 C103 175.3(14) . .
C89 C90 N6 Zn3 -5(2) . .
C108 C103 N6 C90 -55(2) . .
C104 C103 N6 C90 128.1(14) . .
C108 C103 N6 Zn3 125.9(14) . .
C104 C103 N6 Zn3 -51.4(17) . .
C92 C94 N7 C111 177.6(15) . .
C92 C94 N7 Zn4 -6(2) . .
C112 C111 N7 C94 -56.0(16) . .
C116 C111 N7 C94 128.1(13) . .
C112 C111 N7 Zn4 128.4(10) . .
C116 C111 N7 Zn4 -47.5(15) . .
C92 C93 N8 C119 -168.8(14) . .
C92 C93 N8 Zn4 10(2) . .
C120 C119 N8 C93 -66.7(14) . .
C124 C119 N8 C93 117.6(12) . .
C120 C119 N8 Zn4 114.8(9) . .
C124 C119 N8 Zn4 -60.8(12) . .
C12 C13 O1 C1 178.7(11) . .
C8 C13 O1 C1 -1.3(19) . .
C2 C1 O1 C13 -173.0(11) . .
C6 C1 O1 C13 8.5(17) . .
C77 C78 O2 C66 -149.6(14) . .
C73 C78 O2 C66 27.9(19) . .
C67 C66 O2 C78 153.2(16) . .
C71 C66 O2 C78 -24(2) . .
C132 C131 O11 C134 21(8) . .
C133 C134 O11 C131 6(8) . .
S1S O3 S1 O10 67.1(7) . 2_666
Zn1 O3 S1 O10 -139.6(8) . 2_666
S1S O3 S1 C62 -45.4(10) . .
Zn1 O3 S1 C62 107.8(11) . .
C63 C62 S1 O10 54(3) . 2_666
S1S C62 S1 O10 -68.5(9) . 2_666
C63 C62 S1 O3 164(2) . .
S1S C62 S1 O3 41.4(8) . .
S1 O3 S1S C62 53.7(10) . .
Zn1 O3 S1S C62 -11(3) . .
S1 O3 S1S O10 -51.6(6) . 2_666
Zn1 O3 S1S O10 -117(2) . 2_666
C63 C62 S1S O3 -147(3) . .
S1 C62 S1S O3 -55.4(10) . .
C63 C62 S1S O10 -41(3) . 2_666
S1 C62 S1S O10 50.7(7) . 2_666
Zn1 O4 S2 O5 148.5(9) . .
Zn1 O4 S2 C64 -106.1(11) . .
Zn2 O5 S2 O4 -74.0(9) . .
Zn2 O5 S2 C64 -179.6(8) . .
C65 C64 S2 O4 -172.6(13) . .
C65 C64 S2 O5 -61.9(14) . .
S3 O6 S3S O7 -61.0(8) . .
Zn2 O6 S3S O7 180.0(10) . .
S3 O6 S3S C127 58.3(9) . .
Zn2 O6 S3S C127 -60.7(17) . .
S3 O7 S3S O6 56.8(9) . .
Zn3 O7 S3S O6 88.4(16) . .
S3 O7 S3S C127 -64.8(9) . .
Zn3 O7 S3S C127 -33.3(19) . .
C128 C127 S3S O6 165.9(16) . .
S3 C127 S3S O6 -57.3(9) . .
C128 C127 S3S O7 -67.6(17) . .
S3 C127 S3S O7 69.2(8) . .
S3S O6 S3 O7 49.6(7) . .
Zn2 O6 S3 O7 167.3(12) . .
S3S O6 S3 C127 -62.4(9) . .
Zn2 O6 S3 C127 55.3(18) . .
S3S O7 S3 O6 -52.0(7) . .
Zn3 O7 S3 O6 142.2(8) . .
S3S O7 S3 C127 66.3(8) . .
Zn3 O7 S3 C127 -99.4(8) . .
C128 C127 S3 O6 119(2) . .
S3S C127 S3 O6 58.4(8) . .
C128 C127 S3 O7 2(2) . .
S3S C127 S3 O7 -58.3(6) . .
Zn4 O9 S4 O8 -141.8(6) . .
Zn4 O9 S4 C129 111.8(8) . .
Zn3 O8 S4 O9 53.3(13) . .
Zn3 O8 S4 C129 160.1(12) . .
C130 C129 S4 O9 50.5(15) . .
C130 C129 S4 O8 -59.6(15) . .
S1S O3 Zn1 N2 118(2) . .
S1 O3 Zn1 N2 68.9(9) . .
S1S O3 Zn1 N1 3(2) . .
S1 O3 Zn1 N1 -46.7(10) . .
S1S O3 Zn1 O4 -129(2) . .
S1 O3 Zn1 O4 -178.9(8) . .
C26 N2 Zn1 O3 -136.5(9) . .
C38 N2 Zn1 O3 45.6(11) . .
C26 N2 Zn1 N1 -11.1(10) . .
C38 N2 Zn1 N1 171.0(10) . .
C26 N2 Zn1 O4 114.4(9) . .
C38 N2 Zn1 O4 -63.5(11) . .
C25 N1 Zn1 O3 134.9(9) . .
C30 N1 Zn1 O3 -42.6(12) . .
C25 N1 Zn1 N2 8.9(10) . .
C30 N1 Zn1 N2 -168.7(10) . .
C25 N1 Zn1 O4 -103.9(10) . .
C30 N1 Zn1 O4 78.5(11) . .
S2 O4 Zn1 O3 110.2(11) . .
S2 O4 Zn1 N2 -128.1(10) . .
S2 O4 Zn1 N1 -18.9(13) . .
S3S O6 Zn2 N4 135.3(14) . .
S3 O6 Zn2 N4 65.0(16) . .
S3S O6 Zn2 N3 -114.6(13) . .
S3 O6 Zn2 N3 175.0(14) . .
S3S O6 Zn2 O5 8.6(15) . .
S3 O6 Zn2 O5 -61.7(16) . .
C29 N4 Zn2 O6 118.2(10) . .
C54 N4 Zn2 O6 -58.9(10) . .
C29 N4 Zn2 N3 -3.9(11) . .
C54 N4 Zn2 N3 179.0(9) . .
C29 N4 Zn2 O5 -128.0(9) . .
C54 N4 Zn2 O5 54.9(11) . .
C28 N3 Zn2 O6 -119.3(11) . .
C46 N3 Zn2 O6 70.5(12) . .
C28 N3 Zn2 N4 -1.6(11) . .
C46 N3 Zn2 N4 -171.8(11) . .
C28 N3 Zn2 O5 126.3(10) . .
C46 N3 Zn2 O5 -43.9(12) . .
S2 O5 Zn2 O6 -148.1(8) . .
S2 O5 Zn2 N4 91.9(8) . .
S2 O5 Zn2 N3 -23.5(9) . .
C90 N6 Zn3 O7 129.2(11) . .
C103 N6 Zn3 O7 -51.3(11) . .
C90 N6 Zn3 O8 -118.5(11) . .
C103 N6 Zn3 O8 61.1(12) . .
C90 N6 Zn3 N5 7.8(11) . .
C103 N6 Zn3 N5 -172.7(11) . .
S3S O7 Zn3 N6 143.4(15) . .
S3 O7 Zn3 N6 165.7(6) . .
S3S O7 Zn3 O8 17.6(16) . .
S3 O7 Zn3 O8 39.9(7) . .
S3S O7 Zn3 N5 -108.3(15) . .
S3 O7 Zn3 N5 -86.0(7) . .
S4 O8 Zn3 N6 62.8(13) . .
S4 O8 Zn3 O7 -179.0(11) . .
S4 O8 Zn3 N5 -53.2(13) . .
C91 N5 Zn3 N6 -6.1(11) . .
C95 N5 Zn3 N6 173.2(11) . .
C91 N5 Zn3 O7 -121.7(10) . .
C95 N5 Zn3 O7 57.5(12) . .
C91 N5 Zn3 O8 122.2(10) . .
C95 N5 Zn3 O8 -58.5(13) . .
C93 N8 Zn4 O10 -140.2(10) . .
C119 N8 Zn4 O10 38.1(12) . .
C93 N8 Zn4 N7 -15.0(11) . .
C119 N8 Zn4 N7 163.3(11) . .
C93 N8 Zn4 O9 97.1(11) . .
C119 N8 Zn4 O9 -84.6(11) . .
S1 O10 Zn4 N8 167(2) 2_666 .
S1S O10 Zn4 N8 164.4(7) 2_666 .
S1 O10 Zn4 N7 52(3) 2_666 .
S1S O10 Zn4 N7 49.5(9) 2_666 .
S1 O10 Zn4 O9 -69(3) 2_666 .
S1S O10 Zn4 O9 -70.8(8) 2_666 .
C94 N7 Zn4 N8 13.4(11) . .
C111 N7 Zn4 N8 -170.9(11) . .
C94 N7 Zn4 O10 136.1(11) . .
C111 N7 Zn4 O10 -48.2(12) . .
C94 N7 Zn4 O9 -102.9(11) . .
C111 N7 Zn4 O9 72.8(11) . .
S4 O9 Zn4 N8 65.4(7) . .
S4 O9 Zn4 O10 -60.5(8) . .
S4 O9 Zn4 N7 172.7(6) . .
