#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:01:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179876 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/72/7017233.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_7017233
loop_
_publ_author_name
'Madhu, Vedichi'
'Das, Samar K.'
_publ_section_title
;
 Neutral coordination polymers based on a metal-mono(dithiolene) complex:
 synthesis, crystal structure and supramolecular chemistry of
 [Zn(dmit)(4,4'-bpy)](n), [Zn(dmit)(4,4'-bpe)](n) and [Zn(dmit)(bix)](n)
 (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene,
 bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12901
_journal_page_last               12908
_journal_paper_doi               10.1039/c1dt10814j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C60 H42 N8 O2 S20 Zn4'
_chemical_formula_weight         1809.70
_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                105.288(3)
_cell_angle_beta                 97.714(4)
_cell_angle_gamma                94.959(4)
_cell_formula_units_Z            2
_cell_length_a                   9.211(2)
_cell_length_b                   19.641(4)
_cell_length_c                   20.970(5)
_cell_measurement_reflns_used    3196
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.10
_cell_measurement_theta_min      2.31
_cell_volume                     3596.8(14)
_computing_cell_refinement       'Bruker Smart (2003)'
_computing_data_collection       'Bruker Smart (2003)'
_computing_data_reduction        'Bruker SAINT-plus (2003)'
_computing_molecular_graphics    'Diamond 2.1'
_computing_publication_material  SHELXTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.2600
_diffrn_reflns_av_sigmaI/netI    0.2897
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33824
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_T_max  0.8757
_exptl_absorpt_correction_T_min  0.5573
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (sheldrick 1997)'
_exptl_crystal_colour            redish-purple
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1828
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.736
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         12619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.2231
_refine_ls_R_factor_gt           0.0873
_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)+(0.0720P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1813
_refine_ls_wR_factor_ref         0.2424
_reflns_number_gt                4899
_reflns_number_total             12619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10814j.txt
_cod_data_source_block           skd49_m
_cod_original_cell_volume        3596.7(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7017233
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
O2 O 0.737(2) 0.3834(9) 0.3544(7) 0.201(9) Uani 1 1 d .
O1 O 0.048(2) 0.3788(8) 0.8967(7) 0.195(9) Uani 1 1 d .
Zn1 Zn -0.05707(15) 0.14700(8) 0.44703(6) 0.0402(4) Uani 1 1 d .
Zn2 Zn 0.83034(15) 0.33019(8) 1.04508(7) 0.0415(4) Uani 1 1 d .
Zn3 Zn 0.45498(17) 0.43894(8) 0.64572(8) 0.0507(5) Uani 1 1 d .
Zn4 Zn 1.42778(17) 1.03059(8) 0.83658(8) 0.0511(5) Uani 1 1 d .
S8 S 1.2504(4) 0.49673(19) 1.09135(18) 0.0523(10) Uani 1 1 d .
S2 S -0.2744(4) 0.19636(19) 0.44994(17) 0.0484(10) Uani 1 1 d .
S4 S -0.5660(4) 0.1131(2) 0.43692(18) 0.0514(10) Uani 1 1 d .
S9 S 1.3428(4) 0.3589(2) 1.05504(18) 0.0542(10) Uani 1 1 d .
S3 S -0.4695(4) -0.02336(19) 0.40262(18) 0.0547(11) Uani 1 1 d .
S1 S -0.1515(4) 0.03018(19) 0.41195(17) 0.0493(10) Uani 1 1 d .
S13 S 0.0156(4) 0.3968(2) 0.49414(19) 0.0634(12) Uani 1 1 d .
S16 S 1.6360(4) 1.0201(2) 0.78735(18) 0.0593(11) Uani 1 1 d .
S19 S 1.8571(5) 1.0933(2) 0.99452(18) 0.0673(12) Uani 1 1 d .
S11 S 0.3405(4) 0.4107(2) 0.53740(17) 0.0565(11) Uani 1 1 d .
S12 S 0.2522(4) 0.4621(2) 0.69842(18) 0.0641(12) Uani 1 1 d .
S6 S 1.0447(4) 0.27786(19) 1.03669(18) 0.0508(10) Uani 1 1 d .
S17 S 1.5334(4) 1.0698(2) 0.94598(17) 0.0621(12) Uani 1 1 d .
S10 S 1.5714(4) 0.4854(2) 1.0964(2) 0.0758(14) Uani 1 1 d .
S18 S 1.9407(4) 1.0446(2) 0.86602(19) 0.0672(12) Uani 1 1 d .
S7 S 0.9315(4) 0.4454(2) 1.0802(2) 0.0611(12) Uani 1 1 d .
S14 S -0.0575(4) 0.4344(2) 0.62546(19) 0.0648(12) Uani 1 1 d .
S5 S -0.7866(4) -0.0145(2) 0.4134(2) 0.0687(13) Uani 1 1 d .
S15 S -0.3010(4) 0.3961(3) 0.5088(2) 0.0779(14) Uani 1 1 d .
S20 S 2.1734(5) 1.0840(3) 0.9869(2) 0.0846(15) Uani 1 1 d .
C23 C 1.1498(14) 0.3591(8) 1.0547(6) 0.048(4) Uani 1 1 d .
N1 N 0.0680(12) 0.1855(6) 0.5399(5) 0.044(3) Uani 1 1 d .
N7 N 1.2979(12) 0.9327(6) 0.8055(5) 0.045(3) Uani 1 1 d .
N5 N 0.6103(12) 0.5262(6) 0.6794(6) 0.049(3) Uani 1 1 d .
N2 N 0.0963(10) 0.1726(5) 0.3932(4) 0.031(2) Uani 1 1 d .
C1 C -0.3308(13) 0.0479(7) 0.4177(5) 0.041(3) Uani 1 1 d .
C50 C 0.7640(14) 0.2676(7) 0.7008(6) 0.047(4) Uani 1 1 d .
N3 N 0.6986(11) 0.2990(6) 0.9528(5) 0.045(3) Uani 1 1 d .
C18 C 0.2983(13) 0.2533(7) 0.3814(6) 0.043(3) Uani 1 1 d .
H18 H 0.3598 0.2959 0.4007 0.051 Uiso 1 1 calc R
C22 C 1.1106(12) 0.4264(7) 1.0729(6) 0.046(4) Uani 1 1 d .
C12 C 0.6323(12) 0.2170(7) 0.8435(5) 0.039(3) Uani 1 1 d .
H12 H 0.6501 0.1757 0.8134 0.047 Uiso 1 1 calc R
N6 N 0.5806(11) 0.3648(6) 0.6680(5) 0.044(3) Uani 1 1 d .
C42 C 1.1190(16) 0.8479(8) 0.8263(7) 0.063(4) Uani 1 1 d .
H42 H 1.0543 0.8376 0.8540 0.075 Uiso 1 1 calc R
N4 N 0.6914(10) 0.2965(5) 1.1005(5) 0.035(3) Uani 1 1 d .
C8 C 0.2452(13) 0.2371(6) 0.6658(5) 0.034(3) Uani 1 1 d .
C52 C 1.7497(15) 1.0439(7) 0.8654(7) 0.055(4) Uani 1 1 d .
C20 C 0.3109(13) 0.2115(7) 0.3183(6) 0.039(3) Uani 1 1 d .
C32 C 0.1641(14) 0.4181(7) 0.5588(7) 0.053(4) Uani 1 1 d .
C33 C -0.1260(13) 0.4102(7) 0.5420(7) 0.052(4) Uani 1 1 d .
C41 C 1.1279(17) 0.8002(7) 0.7663(8) 0.057(4) Uani 1 1 d .
C31 C 0.1288(15) 0.4389(7) 0.6222(7) 0.053(4) Uani 1 1 d .
C27 C 0.5096(14) 0.2419(8) 1.1772(8) 0.051(4) Uani 1 1 d .
C58 C 1.1484(14) 1.1968(7) 0.8469(6) 0.049(4) Uani 1 1 d .
H58 H 1.1380 1.2373 0.8801 0.059 Uiso 1 1 calc R
C9 C 0.3319(14) 0.2663(7) 0.7330(6) 0.044(4) Uani 1 1 d .
H9 H 0.3144 0.3102 0.7588 0.052 Uiso 1 1 calc R
C43 C 1.2208(16) 0.8214(8) 0.7261(7) 0.056(4) Uani 1 1 d .
H43 H 1.2259 0.7910 0.6844 0.067 Uiso 1 1 calc R
C19 C 0.2133(14) 0.1478(7) 0.2945(6) 0.041(3) Uani 1 1 d .
H19 H 0.2153 0.1172 0.2525 0.049 Uiso 1 1 calc R
C47 C 0.6643(15) 0.3783(8) 0.7285(6) 0.050(4) Uani 1 1 d .
H47 H 0.6581 0.4204 0.7605 0.060 Uiso 1 1 calc R
C3 C -0.6193(13) 0.0211(7) 0.4170(5) 0.041(3) Uani 1 1 d .
C53 C 1.7102(16) 1.0689(8) 0.9293(7) 0.060(4) Uani 1 1 d .
C14 C 0.5969(15) 0.3378(7) 0.9348(6) 0.047(4) Uani 1 1 d .
H14 H 0.5843 0.3792 0.9663 0.057 Uiso 1 1 calc R
C59 C 1.0571(13) 1.1797(7) 0.7845(6) 0.044(4) Uani 1 1 d .
C11 C 0.5250(14) 0.2568(7) 0.8263(5) 0.040(3) Uani 1 1 d .
C24 C 1.3974(14) 0.4502(6) 1.0826(6) 0.044(4) Uani 1 1 d .
C45 C 1.2139(16) 0.9142(7) 0.8445(7) 0.057(4) Uani 1 1 d .
H45 H 1.2151 0.9456 0.8865 0.068 Uiso 1 1 calc R
C10 C 0.4349(15) 0.2329(7) 0.7590(5) 0.047(4) Uani 1 1 d .
H10 H 0.4517 0.1898 0.7315 0.057 Uiso 1 1 calc R
C30 C 0.5985(17) 0.3069(9) 1.2043(6) 0.061(4) Uani 1 1 d .
H30 H 0.5981 0.3337 1.2480 0.073 Uiso 1 1 calc R
C17 C 0.1944(13) 0.2311(7) 0.4148(6) 0.038(3) Uani 1 1 d .
H17 H 0.1918 0.2600 0.4575 0.046 Uiso 1 1 calc R
C56 C 1.2521(15) 1.1546(7) 0.8595(6) 0.047(4) Uani 1 1 d .
H56 H 1.3122 1.1688 0.9012 0.056 Uiso 1 1 calc R
C16 C 0.1144(13) 0.1308(7) 0.3338(6) 0.042(3) Uani 1 1 d .
H16 H 0.0558 0.0870 0.3176 0.050 Uiso 1 1 calc R
C15 C 0.7125(14) 0.2415(7) 0.9078(6) 0.043(3) Uani 1 1 d .
H15 H 0.7832 0.2141 0.9197 0.051 Uiso 1 1 calc R
C7 C 0.2619(15) 0.1755(8) 0.6228(6) 0.061(5) Uani 1 1 d .
H7 H 0.3341 0.1488 0.6346 0.074 Uiso 1 1 calc R
C57 C 1.0778(14) 1.1133(7) 0.7398(6) 0.044(4) Uani 1 1 d .
H57 H 1.0166 1.0959 0.6985 0.052 Uiso 1 1 calc R
C5 C 0.0520(14) 0.2470(7) 0.5826(6) 0.052(4) Uani 1 1 d .
H5 H -0.0202 0.2728 0.5690 0.062 Uiso 1 1 calc R
C38 C 0.8308(16) 0.6397(8) 0.7334(9) 0.063(5) Uani 1 1 d .
C55 C 1.1833(15) 1.0767(7) 0.7570(7) 0.052(4) Uani 1 1 d .
H55 H 1.1955 1.0352 0.7254 0.062 Uiso 1 1 calc R
C2 C -0.3799(13) 0.1152(7) 0.4324(5) 0.037(3) Uani 1 1 d .
C49 C 0.7582(15) 0.3335(7) 0.7457(6) 0.051(4) Uani 1 1 d .
H49 H 0.8184 0.3470 0.7874 0.061 Uiso 1 1 calc R
C6 C 0.1353(13) 0.2752(7) 0.6458(5) 0.043(4) Uani 1 1 d .
H6 H 0.1185 0.3181 0.6739 0.052 Uiso 1 1 calc R
C40 C 1.029(2) 0.7315(10) 0.7385(10) 0.086(6) Uani 1 1 d .
H40 H 1.0386 0.7062 0.6953 0.103 Uiso 1 1 calc R
N8 N 1.2742(11) 1.0944(6) 0.8163(5) 0.044(3) Uani 1 1 d .
C54 C 2.0016(15) 1.0736(7) 0.9531(7) 0.058(4) Uani 1 1 d .
C13 C 0.5102(14) 0.3209(7) 0.8733(6) 0.047(4) Uani 1 1 d .
H13 H 0.4434 0.3507 0.8628 0.057 Uiso 1 1 calc R
C26 C 0.6907(14) 0.3314(8) 1.1629(7) 0.054(4) Uani 1 1 d .
H26 H 0.7528 0.3741 1.1812 0.065 Uiso 1 1 calc R
C37 C 0.7469(18) 0.6169(9) 0.7719(8) 0.071(5) Uani 1 1 d .
H37 H 0.7616 0.6400 0.8175 0.085 Uiso 1 1 calc R
C44 C 1.3019(15) 0.8844(8) 0.7466(6) 0.054(4) Uani 1 1 d .
H44 H 1.3653 0.8961 0.7191 0.064 Uiso 1 1 calc R
C48 C 0.6770(15) 0.2555(8) 0.6387(6) 0.052(4) Uani 1 1 d .
H48 H 0.6768 0.2128 0.6062 0.062 Uiso 1 1 calc R
C21 C 0.4128(16) 0.2365(8) 0.2802(8) 0.062(4) Uani 1 1 d .
H21 H 0.4866 0.2731 0.3041 0.074 Uiso 1 1 calc R
C39 C 0.9387(19) 0.7037(10) 0.7638(9) 0.077(5) Uani 1 1 d .
H39 H 0.9371 0.7259 0.8087 0.092 Uiso 1 1 calc R
C51 C 0.8619(15) 0.2179(7) 0.7159(7) 0.052(4) Uani 1 1 d .
H51 H 0.8595 0.1757 0.6826 0.063 Uiso 1 1 calc R
C35 C 0.6407(16) 0.5611(7) 0.7465(7) 0.054(4) Uani 1 1 d .
H35 H 0.5862 0.5456 0.7755 0.064 Uiso 1 1 calc R
C60 C 0.9545(15) 1.2267(7) 0.7726(7) 0.049(4) Uani 1 1 d .
H60 H 0.9519 1.2670 0.8074 0.059 Uiso 1 1 calc R
C25 C 0.6101(16) 0.2367(8) 1.0778(6) 0.053(4) Uani 1 1 d .
H25 H 0.6165 0.2109 1.0344 0.063 Uiso 1 1 calc R
C4 C 0.1709(16) 0.1512(8) 0.5599(6) 0.060(4) Uani 1 1 d .
H4 H 0.1852 0.1083 0.5312 0.072 Uiso 1 1 calc R
C28 C 0.4126(16) 0.2136(9) 1.2167(8) 0.068(5) Uani 1 1 d .
H28 H 0.3432 0.1748 1.1933 0.081 Uiso 1 1 calc R
C29 C 0.5109(16) 0.2051(8) 1.1112(7) 0.059(4) Uani 1 1 d .
H29 H 0.4507 0.1624 1.0901 0.070 Uiso 1 1 calc R
C46 C 0.5923(15) 0.3039(8) 0.6239(6) 0.051(4) Uani 1 1 d .
H46 H 0.5398 0.2942 0.5807 0.061 Uiso 1 1 calc R
C34 C 0.6861(18) 0.5504(8) 0.6394(7) 0.062(4) Uani 1 1 d .
H34 H 0.6621 0.5300 0.5934 0.074 Uiso 1 1 calc R
C36 C 0.7997(18) 0.6052(9) 0.6639(9) 0.074(5) Uani 1 1 d .
H36 H 0.8559 0.6195 0.6350 0.089 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'
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'
O O 0.0106 0.0060 '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
N2 Zn1 N1 97.8(4) .
N2 Zn1 S1 113.1(3) .
N1 Zn1 S1 118.6(3) .
N2 Zn1 S2 122.0(3) .
N1 Zn1 S2 107.6(3) .
S1 Zn1 S2 99.02(13) .
N4 Zn2 N3 100.0(4) .
N4 Zn2 S7 117.6(3) .
N3 Zn2 S7 115.8(4) .
N4 Zn2 S6 116.8(3) .
N3 Zn2 S6 108.4(3) .
S7 Zn2 S6 98.68(13) .
N5 Zn3 N6 98.9(4) .
N5 Zn3 S11 118.0(4) .
N6 Zn3 S11 114.6(3) .
N5 Zn3 S12 108.7(3) .
N6 Zn3 S12 118.7(3) .
S11 Zn3 S12 98.96(14) .
N8 Zn4 N7 100.0(4) .
N8 Zn4 S17 109.9(3) .
N7 Zn4 S17 117.3(3) .
N8 Zn4 S16 122.7(3) .
N7 Zn4 S16 108.2(3) .
S17 Zn4 S16 99.87(15) .
C24 S8 C22 99.2(6) .
C2 S2 Zn1 93.1(4) .
C2 S4 C3 100.6(6) .
C24 S9 C23 98.8(7) .
C3 S3 C1 100.7(6) .
C1 S1 Zn1 93.5(5) .
C32 S13 C33 98.5(6) .
C52 S16 Zn4 91.5(5) .
C54 S19 C53 101.4(7) .
C32 S11 Zn3 93.9(5) .
C31 S12 Zn3 93.0(5) .
C23 S6 Zn2 91.7(5) .
C53 S17 Zn4 94.2(5) .
C52 S18 C54 99.1(7) .
C22 S7 Zn2 94.5(5) .
C33 S14 C31 99.8(7) .
C22 C23 S6 130.2(11) .
C22 C23 S9 112.8(10) .
S6 C23 S9 116.9(8) .
C4 N1 C5 116.3(11) .
C4 N1 Zn1 120.8(9) .
C5 N1 Zn1 122.9(9) .
C45 N7 C44 117.3(12) .
C45 N7 Zn4 120.0(9) .
C44 N7 Zn4 122.6(10) .
C34 N5 C35 117.7(12) .
C34 N5 Zn3 122.7(10) .
C35 N5 Zn3 119.6(10) .
C17 N2 C16 112.9(10) .
C17 N2 Zn1 123.5(8) .
C16 N2 Zn1 123.6(8) .
C2 C1 S1 126.7(10) .
C2 C1 S3 114.6(9) .
S1 C1 S3 118.7(8) .
C48 C50 C49 114.7(13) .
C48 C50 C51 122.3(12) .
C49 C50 C51 122.8(12) .
C15 N3 C14 116.0(11) .
C15 N3 Zn2 121.8(9) .
C14 N3 Zn2 122.1(9) .
C17 C18 C20 119.2(12) .
C23 C22 S8 117.2(9) .
C23 C22 S7 124.5(11) .
S8 C22 S7 118.3(8) .
C11 C12 C15 116.9(11) .
C46 N6 C47 116.3(11) .
C46 N6 Zn3 123.4(8) .
C47 N6 Zn3 120.2(9) .
C41 C42 C45 117.1(15) .
C25 N4 C26 117.0(12) .
C25 N4 Zn2 120.9(9) .
C26 N4 Zn2 121.8(9) .
C7 C8 C6 117.8(10) .
C7 C8 C9 124.5(11) .
C6 C8 C9 117.7(11) .
C53 C52 S16 128.4(11) .
C53 C52 S18 114.1(11) .
S16 C52 S18 117.2(9) .
C18 C20 C19 115.3(12) .
C18 C20 C21 120.0(13) .
C19 C20 C21 124.5(12) .
C31 C32 S13 115.3(10) .
C31 C32 S11 127.2(11) .
S13 C32 S11 117.5(8) .
S15 C33 S14 125.9(9) .
S15 C33 S13 122.9(8) .
S14 C33 S13 111.1(6) .
C42 C41 C43 117.8(14) .
C42 C41 C40 123.2(18) .
C43 C41 C40 118.5(15) .
C32 C31 S14 115.0(10) .
C32 C31 S12 126.8(11) .
S14 C31 S12 117.9(8) .
C29 C27 C30 118.7(14) .
C29 C27 C28 120.2(14) .
C30 C27 C28 121.1(14) .
C56 C58 C59 120.5(13) .
C10 C9 C8 123.3(12) .
C44 C43 C41 120.6(14) .
C16 C19 C20 119.8(12) .
N6 C47 C49 123.6(12) .
S5 C3 S3 126.4(8) .
S5 C3 S4 123.7(8) .
S3 C3 S4 109.9(7) .
C52 C53 S17 125.4(10) .
C52 C53 S19 114.6(12) .
S17 C53 S19 119.8(8) .
N3 C14 C13 124.5(12) .
C58 C59 C60 118.7(12) .
C58 C59 C57 113.8(12) .
C60 C59 C57 127.5(11) .
C12 C11 C13 118.3(10) .
C12 C11 C10 119.4(11) .
C13 C11 C10 122.3(12) .
S10 C24 S8 125.4(7) .
S10 C24 S9 122.8(8) .
S8 C24 S9 111.9(7) .
N7 C45 C42 123.4(13) .
C9 C10 C11 127.4(12) .
C27 C30 C26 118.1(13) .
N2 C17 C18 127.3(11) .
N8 C56 C58 124.9(12) .
N2 C16 C19 125.2(12) .
N3 C15 C12 126.3(12) .
C8 C7 C4 120.3(12) .
C55 C57 C59 120.6(12) .
N1 C5 C6 124.7(12) .
C37 C38 C36 117.3(14) .
C37 C38 C39 118.4(16) .
C36 C38 C39 123.9(17) .
C57 C55 N8 125.5(13) .
C1 C2 S2 127.2(9) .
C1 C2 S4 114.1(10) .
S2 C2 S4 118.6(8) .
C47 C49 C50 120.2(12) .
C5 C6 C8 117.6(11) .
C39 C40 C41 130(2) .
C56 N8 C55 114.6(11) .
C56 N8 Zn4 124.5(9) .
C55 N8 Zn4 121.0(9) .
S20 C54 S19 126.0(9) .
S20 C54 S18 123.4(9) .
S19 C54 S18 110.5(7) .
C14 C13 C11 117.9(12) .
N4 C26 C30 122.9(14) .
C38 C37 C35 121.4(15) .
C43 C44 N7 123.6(15) .
C46 C48 C50 121.8(13) .
C28 C21 C20 127.1(15) 1_554
C40 C39 C38 129(2) .
C60 C51 C50 126.6(12) 1_545
C37 C35 N5 122.1(14) .
C51 C60 C59 125.6(13) 1_565
N4 C25 C29 127.4(13) .
N1 C4 C7 123.4(12) .
C21 C28 C27 127.2(15) 1_556
C27 C29 C25 115.7(13) .
N6 C46 C48 123.2(12) .
N5 C34 C36 121.6(14) .
C34 C36 C38 119.6(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 2.032(10) .
Zn1 N1 2.040(10) .
Zn1 S1 2.271(4) .
Zn1 S2 2.299(4) .
Zn2 N4 2.021(10) .
Zn2 N3 2.051(10) .
Zn2 S7 2.260(4) .
Zn2 S6 2.309(4) .
Zn3 N5 2.037(11) .
Zn3 N6 2.046(11) .
Zn3 S11 2.274(4) .
Zn3 S12 2.314(4) .
Zn4 N8 2.043(10) .
Zn4 N7 2.071(11) .
Zn4 S17 2.268(4) .
Zn4 S16 2.297(4) .
S8 C24 1.701(13) .
S8 C22 1.730(14) .
S2 C2 1.717(13) .
S4 C2 1.728(12) .
S4 C3 1.754(13) .
S9 C24 1.738(12) .
S9 C23 1.777(14) .
S3 C3 1.714(13) .
S3 C1 1.744(13) .
S1 C1 1.730(13) .
S13 C32 1.729(14) .
S13 C33 1.747(14) .
S16 C52 1.745(14) .
S19 C54 1.702(15) .
S19 C53 1.725(13) .
S11 C32 1.751(14) .
S12 C31 1.759(13) .
S6 C23 1.716(14) .
S17 C53 1.712(16) .
S10 C24 1.646(13) .
S18 C52 1.757(14) .
S18 C54 1.759(14) .
S7 C22 1.740(12) .
S14 C33 1.703(13) .
S14 C31 1.722(15) .
S5 C3 1.620(13) .
S15 C33 1.637(12) .
S20 C54 1.616(14) .
C23 C22 1.370(17) .
N1 C4 1.297(15) .
N1 C5 1.335(15) .
N7 C45 1.295(17) .
N7 C44 1.351(16) .
N5 C34 1.314(17) .
N5 C35 1.372(15) .
N2 C17 1.333(14) .
N2 C16 1.339(14) .
C1 C2 1.404(16) .
C50 C48 1.386(15) .
C50 C49 1.395(17) .
C50 C51 1.451(17) .
N3 C15 1.295(14) .
N3 C14 1.334(16) .
C18 C17 1.367(17) .
C18 C20 1.387(16) .
C12 C11 1.380(16) .
C12 C15 1.387(14) .
N6 C46 1.327(15) .
N6 C47 1.341(13) .
C42 C41 1.375(19) .
C42 C45 1.434(18) .
N4 C25 1.274(16) .
N4 C26 1.310(15) .
C8 C7 1.339(16) .
C8 C6 1.394(16) .
C8 C9 1.465(14) .
C52 C53 1.409(18) .
C20 C19 1.406(17) .
C20 C21 1.446(18) .
C32 C31 1.375(17) .
C41 C43 1.39(2) .
C41 C40 1.49(2) .
C27 C29 1.385(18) .
C27 C30 1.391(19) .
C27 C28 1.47(2) .
C58 C56 1.361(17) .
C58 C59 1.399(15) .
C9 C10 1.334(17) .
C43 C44 1.322(18) .
C19 C16 1.383(17) .
C47 C49 1.366(17) .
C14 C13 1.364(14) .
C59 C60 1.420(17) .
C59 C57 1.435(17) .
C11 C13 1.409(17) .
C11 C10 1.474(14) .
C30 C26 1.432(19) .
C56 N8 1.338(15) .
C7 C4 1.404(15) .
C57 C55 1.325(17) .
C5 C6 1.385(14) .
C38 C37 1.32(2) .
C38 C36 1.41(2) .
C38 C39 1.47(2) .
C55 N8 1.346(14) .
C40 C39 1.21(2) .
C37 C35 1.345(18) .
C48 C46 1.353(17) .
C21 C28 1.288(18) 1_554
C51 C60 1.328(16) 1_545
C60 C51 1.328(16) 1_565
C25 C29 1.420(19) .
C28 C21 1.287(18) 1_556
C34 C36 1.374(19) .
