#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:30:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180104 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/02/7100236.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_7100236
loop_
_publ_author_name
'Pingyun Feng'
'Xianhui Bu'
'Jingli Xie'
'Nanfeng Zheng'
_publ_section_title
;
One-dimensional Coordination Polymers Containing
Penta-Supertetrahedral Sulfide Clusters Linked by Dipyridyl Ligands
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b508470a
_journal_year                    2005
_chemical_formula_sum            'C97 H84 Co N2 S15 Zn7'
_chemical_formula_weight         2275.08
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.347(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0847(15)
_cell_length_b                   18.4854(14)
_cell_length_c                   27.494(2)
_cell_measurement_temperature    238(2)
_cell_volume                     9671.8(13)
_diffrn_ambient_temperature      238(2)
_exptl_crystal_density_diffrn    1.562
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100236
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.09747(6) 0.25220(7) 0.71776(4) 0.0295(3) Uani 1 1 d . . .
Zn2 Zn 0.25957(6) 0.14388(6) 0.75381(5) 0.0271(3) Uani 1 1 d . . .
Zn3 Zn 0.16863(6) 0.24192(7) 0.85115(4) 0.0265(3) Uani 1 1 d . . .
Zn4 Zn 0.25496(6) 0.35494(6) 0.75615(4) 0.0254(3) Uani 1 1 d . . .
Zn5 Zn 0.36362(6) 0.25505(7) 0.85375(4) 0.0271(3) Uani 1 1 d . . .
Zn6 Zn 0.41469(6) 0.25119(7) 0.72606(4) 0.0288(3) Uani 1 1 d . . .
Co1 Co 0.28075(7) 0.06894(7) 0.88385(5) 0.0216(3) Uani 1 1 d . . .
Zn7 Zn 0.26092(7) 0.42101(7) 0.89049(5) 0.0306(3) Uani 1 1 d . . .
S1 S 0.13918(15) 0.37061(15) 0.72125(11) 0.0317(7) Uani 1 1 d . . .
S2 S 0.17569(15) 0.16666(16) 0.68860(11) 0.0340(7) Uani 1 1 d . . .
S3 S 0.07468(14) 0.20919(15) 0.79508(10) 0.0301(7) Uani 1 1 d . . .
S4 S 0.26138(12) 0.24839(15) 0.80149(9) 0.0217(5) Uani 1 1 d . . .
S5 S 0.23322(16) 0.04709(15) 0.80291(11) 0.0346(7) Uani 1 1 d . . .
S6 S 0.37016(14) 0.13378(14) 0.72257(10) 0.0296(7) Uani 1 1 d . . .
S7 S 0.32913(14) 0.33163(15) 0.69380(10) 0.0296(7) Uani 1 1 d . . .
S8 S 0.44878(14) 0.29704(15) 0.80305(10) 0.0295(7) Uani 1 1 d . . .
S9 S 0.38494(15) 0.13766(15) 0.87952(11) 0.0352(7) Uani 1 1 d . . .
S10 S 0.34420(15) 0.33244(15) 0.91736(10) 0.0298(7) Uani 1 1 d . . .
S11 S 0.15276(15) 0.35770(14) 0.88387(10) 0.0303(7) Uani 1 1 d . . .
S12 S 0.29050(14) 0.44639(14) 0.80941(10) 0.0280(7) Uani 1 1 d . . .
S13 S 0.28765(19) 0.52637(18) 0.92929(13) 0.0540(10) Uani 1 1 d . . .
S14 S 0.19294(15) 0.15059(15) 0.90864(10) 0.0311(7) Uani 1 1 d . . .
S15 S 0.3240(2) -0.02694(19) 0.92837(16) 0.0654(11) Uani 1 1 d . . .
N1 N 0.0055(4) 0.2527(5) 0.6760(3) 0.033(2) Uani 1 1 d . . .
N2 N 0.4997(5) 0.2467(5) 0.6855(3) 0.037(2) Uani 1 1 d . . .
C1 C -0.0191(7) 0.1995(7) 0.6484(6) 0.087(6) Uani 1 1 d . . .
H1 H 0.0111 0.1598 0.6454 0.104 Uiso 1 1 calc R . .
C2 C -0.0812(7) 0.1950(7) 0.6241(6) 0.081(6) Uani 1 1 d . . .
H2 H -0.0933 0.1521 0.6071 0.097 Uiso 1 1 calc R . .
C3 C -0.1264(6) 0.2481(7) 0.6228(4) 0.038(3) Uani 1 1 d . . .
C4 C -0.1029(8) 0.3080(8) 0.6506(7) 0.101(7) Uani 1 1 d . . .
H4 H -0.1323 0.3485 0.6527 0.121 Uiso 1 1 calc R . .
C5 C -0.0375(8) 0.3083(7) 0.6749(6) 0.081(6) Uani 1 1 d . . .
H5 H -0.0225 0.3505 0.6917 0.097 Uiso 1 1 calc R . .
C6 C 0.1191(6) 0.0897(6) 0.6781(4) 0.033(3) Uani 1 1 d . . .
C7 C 0.1095(7) 0.0637(7) 0.6305(5) 0.053(4) Uani 1 1 d . . .
H7 H 0.1388 0.0807 0.6070 0.064 Uiso 1 1 calc R . .
C8 C 0.0580(10) 0.0133(8) 0.6170(6) 0.079(6) Uani 1 1 d . . .
H8 H 0.0513 -0.0039 0.5848 0.095 Uiso 1 1 calc R . .
C9 C 0.0162(8) -0.0110(8) 0.6537(7) 0.073(5) Uani 1 1 d . . .
H9 H -0.0213 -0.0427 0.6456 0.087 Uiso 1 1 calc R . .
C10 C 0.0292(7) 0.0106(7) 0.7002(6) 0.065(4) Uani 1 1 d . . .
H10 H 0.0022 -0.0081 0.7246 0.078 Uiso 1 1 calc R . .
C11 C 0.0812(6) 0.0594(6) 0.7121(5) 0.045(3) Uani 1 1 d . . .
H11 H 0.0909 0.0722 0.7450 0.054 Uiso 1 1 calc R . .
C12 C -0.0039(5) 0.2395(6) 0.8179(4) 0.029(3) Uani 1 1 d . . .
C13 C -0.0435(7) 0.1953(8) 0.8449(5) 0.064(4) Uani 1 1 d . . .
H13 H -0.0268 0.1484 0.8522 0.077 Uiso 1 1 calc R . .
C14 C -0.1034(8) 0.2151(10) 0.8613(5) 0.077(5) Uani 1 1 d . . .
H14 H -0.1280 0.1821 0.8796 0.092 Uiso 1 1 calc R . .
C15 C -0.1311(7) 0.2829(9) 0.8524(6) 0.068(5) Uani 1 1 d . . .
H15 H -0.1744 0.2962 0.8641 0.081 Uiso 1 1 calc R . .
C16 C -0.0948(7) 0.3298(8) 0.8266(6) 0.071(5) Uani 1 1 d . . .
H16 H -0.1121 0.3769 0.8210 0.086 Uiso 1 1 calc R . .
C17 C -0.0310(6) 0.3088(7) 0.8078(5) 0.057(4) Uani 1 1 d . . .
H17 H -0.0069 0.3411 0.7886 0.069 Uiso 1 1 calc R . .
C18 C 0.1586(6) 0.3995(6) 0.6629(4) 0.037(3) Uani 1 1 d . . .
C19 C 0.1600(7) 0.3585(6) 0.6226(4) 0.047(3) Uani 1 1 d . . .
H19 H 0.1470 0.3097 0.6249 0.056 Uiso 1 1 calc R . .
C20 C 0.1788(8) 0.3828(8) 0.5788(5) 0.062(4) Uani 1 1 d . . .
H20 H 0.1784 0.3513 0.5518 0.074 Uiso 1 1 calc R . .
C21 C 0.1981(8) 0.4534(9) 0.5744(5) 0.074(5) Uani 1 1 d . . .
H21 H 0.2101 0.4712 0.5441 0.088 Uiso 1 1 calc R . .
C22 C 0.2002(8) 0.4983(8) 0.6141(6) 0.071(5) Uani 1 1 d . . .
H22 H 0.2150 0.5466 0.6117 0.085 Uiso 1 1 calc R . .
C23 C 0.1800(7) 0.4713(7) 0.6580(5) 0.058(4) Uani 1 1 d . . .
H23 H 0.1807 0.5021 0.6851 0.069 Uiso 1 1 calc R . .
C24 C 0.2727(6) -0.0301(6) 0.7789(4) 0.033(3) Uani 1 1 d . . .
C25 C 0.3428(6) -0.0375(6) 0.7734(5) 0.050(4) Uani 1 1 d . . .
H25 H 0.3737 -0.0004 0.7846 0.060 Uiso 1 1 calc R . .
C26 C 0.3691(7) -0.0978(6) 0.7521(5) 0.047(3) Uani 1 1 d . . .
H26 H 0.4176 -0.1010 0.7485 0.057 Uiso 1 1 calc R . .
C27 C 0.3258(8) -0.1533(7) 0.7358(5) 0.059(4) Uani 1 1 d . . .
H27 H 0.3438 -0.1939 0.7204 0.071 Uiso 1 1 calc R . .
C28 C 0.2574(9) -0.1480(8) 0.7426(7) 0.088(6) Uani 1 1 d . . .
H28 H 0.2274 -0.1866 0.7329 0.106 Uiso 1 1 calc R . .
C29 C 0.2295(8) -0.0876(7) 0.7632(6) 0.069(5) Uani 1 1 d . . .
H29 H 0.1809 -0.0851 0.7668 0.083 Uiso 1 1 calc R . .
C30 C 0.3469(6) 0.1108(6) 0.6604(4) 0.035(3) Uani 1 1 d . . .
C31 C 0.3165(7) 0.0426(7) 0.6514(5) 0.050(4) Uani 1 1 d . . .
H31 H 0.3083 0.0111 0.6772 0.060 Uiso 1 1 calc R . .
C32 C 0.2987(8) 0.0231(8) 0.6038(6) 0.069(5) Uani 1 1 d . . .
H32 H 0.2798 -0.0233 0.5978 0.082 Uiso 1 1 calc R . .
C33 C 0.3072(7) 0.0678(8) 0.5642(5) 0.058(4) Uani 1 1 d . . .
H33 H 0.2939 0.0531 0.5321 0.070 Uiso 1 1 calc R . .
C34 C 0.3359(7) 0.1346(8) 0.5744(4) 0.056(4) Uani 1 1 d . . .
H34 H 0.3427 0.1668 0.5487 0.068 Uiso 1 1 calc R . .
C35 C 0.3553(6) 0.1556(6) 0.6228(4) 0.038(3) Uani 1 1 d . . .
H35 H 0.3745 0.2018 0.6289 0.045 Uiso 1 1 calc R . .
C36 C 0.3800(6) 0.4087(6) 0.6814(4) 0.034(3) Uani 1 1 d . . .
C37 C 0.3850(8) 0.4303(7) 0.6350(5) 0.059(4) Uani 1 1 d . . .
H37 H 0.3553 0.4093 0.6101 0.071 Uiso 1 1 calc R . .
C38 C 0.4319(11) 0.4820(9) 0.6232(6) 0.089(6) Uani 1 1 d . . .
H38 H 0.4361 0.4937 0.5903 0.106 Uiso 1 1 calc R . .
C39 C 0.4727(9) 0.5167(9) 0.6587(8) 0.089(6) Uani 1 1 d . . .
H39 H 0.5046 0.5527 0.6504 0.106 Uiso 1 1 calc R . .
C40 C 0.4667(7) 0.4986(7) 0.7069(7) 0.067(5) Uani 1 1 d . . .
H40 H 0.4946 0.5220 0.7318 0.081 Uiso 1 1 calc R . .
C41 C 0.4191(6) 0.4454(6) 0.7184(5) 0.044(3) Uani 1 1 d . . .
H41 H 0.4133 0.4342 0.7512 0.052 Uiso 1 1 calc R . .
C42 C 0.5291(5) 0.2585(6) 0.8276(4) 0.032(3) Uani 1 1 d . . .
C43 C 0.5535(6) 0.1938(6) 0.8123(5) 0.042(3) Uani 1 1 d . . .
H43 H 0.5273 0.1670 0.7883 0.051 Uiso 1 1 calc R . .
C44 C 0.6185(7) 0.1674(8) 0.8329(5) 0.060(4) Uani 1 1 d . . .
H44 H 0.6359 0.1228 0.8226 0.072 Uiso 1 1 calc R . .
C45 C 0.6546(7) 0.2055(10) 0.8664(6) 0.077(5) Uani 1 1 d . . .
H45 H 0.6986 0.1882 0.8789 0.092 Uiso 1 1 calc R . .
C46 C 0.6310(8) 0.2684(10) 0.8837(6) 0.099(7) Uani 1 1 d . . .
H46 H 0.6576 0.2932 0.9085 0.119 Uiso 1 1 calc R . .
C47 C 0.5671(7) 0.2966(8) 0.8646(5) 0.068(5) Uani 1 1 d . . .
H47 H 0.5500 0.3404 0.8763 0.081 Uiso 1 1 calc R . .
C48 C 0.4161(8) 0.1485(7) 0.9408(5) 0.059(4) Uani 1 1 d . . .
C49 C 0.3689(9) 0.1633(8) 0.9769(5) 0.072(5) Uani 1 1 d . . .
H49 H 0.3205 0.1667 0.9679 0.086 Uiso 1 1 calc R . .
C50 C 0.3934(11) 0.1730(10) 1.0263(6) 0.102(7) Uani 1 1 d . . .
H50 H 0.3628 0.1840 1.0505 0.122 Uiso 1 1 calc R . .
C51 C 0.4645(12) 0.1653(13) 1.0370(8) 0.127(9) Uani 1 1 d . . .
H51 H 0.4815 0.1686 1.0699 0.153 Uiso 1 1 calc R . .
C52 C 0.5114(11) 0.1535(13) 1.0042(9) 0.136(10) Uani 1 1 d . . .
H52 H 0.5596 0.1503 1.0138 0.163 Uiso 1 1 calc R . .
C53 C 0.4863(8) 0.1461(9) 0.9540(7) 0.090(6) Uani 1 1 d . . .
H53 H 0.5184 0.1394 0.9301 0.108 Uiso 1 1 calc R . .
C54 C 0.4252(6) 0.3762(6) 0.9329(4) 0.034(3) Uani 1 1 d . . .
C55 C 0.4477(6) 0.4361(7) 0.9084(4) 0.040(3) Uani 1 1 d . . .
H55 H 0.4202 0.4539 0.8812 0.048 Uiso 1 1 calc R . .
C56 C 0.5101(6) 0.4701(7) 0.9234(5) 0.051(4) Uani 1 1 d . . .
H56 H 0.5253 0.5103 0.9060 0.061 Uiso 1 1 calc R . .
C57 C 0.5497(7) 0.4452(8) 0.9634(5) 0.057(4) Uani 1 1 d . . .
H57 H 0.5914 0.4690 0.9744 0.068 Uiso 1 1 calc R . .
C58 C 0.5284(7) 0.3864(8) 0.9869(5) 0.063(4) Uani 1 1 d . . .
H58 H 0.5568 0.3688 1.0137 0.076 Uiso 1 1 calc R . .
C59 C 0.4676(6) 0.3514(7) 0.9734(4) 0.047(3) Uani 1 1 d . . .
H59 H 0.4540 0.3108 0.9910 0.056 Uiso 1 1 calc R . .
C60 C 0.1288(6) 0.3319(6) 0.9436(4) 0.036(3) Uani 1 1 d . . .
C61 C 0.0600(6) 0.3155(7) 0.9498(5) 0.052(4) Uani 1 1 d . . .
H61 H 0.0262 0.3190 0.9232 0.062 Uiso 1 1 calc R . .
C62 C 0.0396(8) 0.2940(9) 0.9949(6) 0.074(5) Uani 1 1 d . . .
H62 H -0.0072 0.2808 0.9986 0.089 Uiso 1 1 calc R . .
C63 C 0.0880(8) 0.2921(8) 1.0332(5) 0.059(4) Uani 1 1 d . . .
H63 H 0.0741 0.2779 1.0639 0.070 Uiso 1 1 calc R . .
C64 C 0.1542(8) 0.3095(8) 1.0288(5) 0.060(4) Uani 1 1 d . . .
H64 H 0.1870 0.3079 1.0560 0.072 Uiso 1 1 calc R . .
C65 C 0.1751(6) 0.3305(7) 0.9834(4) 0.048(4) Uani 1 1 d . . .
H65 H 0.2221 0.3439 0.9804 0.057 Uiso 1 1 calc R . .
C66 C 0.2425(6) 0.5247(5) 0.7893(4) 0.028(3) Uani 1 1 d . . .
C67 C 0.2785(7) 0.5783(6) 0.7663(5) 0.048(3) Uani 1 1 d . . .
H67 H 0.3266 0.5729 0.7619 0.058 Uiso 1 1 calc R . .
C68 C 0.2424(8) 0.6406(7) 0.7497(5) 0.060(4) Uani 1 1 d . . .
H68 H 0.2669 0.6782 0.7355 0.072 Uiso 1 1 calc R . .
C69 C 0.1734(8) 0.6471(8) 0.7538(5) 0.060(4) Uani 1 1 d . . .
H69 H 0.1495 0.6881 0.7409 0.072 Uiso 1 1 calc R . .
C70 C 0.1371(7) 0.5946(7) 0.7768(5) 0.062(4) Uani 1 1 d . . .
H70 H 0.0890 0.6002 0.7811 0.074 Uiso 1 1 calc R . .
C71 C 0.1729(7) 0.5336(7) 0.7932(5) 0.058(4) Uani 1 1 d . . .
H71 H 0.1479 0.4967 0.8079 0.069 Uiso 1 1 calc R . .
C72 C 0.2208(7) 0.5562(6) 0.9650(4) 0.037(3) Uani 1 1 d . . .
C73 C 0.2412(8) 0.6047(6) 1.0020(5) 0.051(4) Uani 1 1 d . . .
H73 H 0.2884 0.6195 1.0061 0.061 Uiso 1 1 calc R . .
C74 C 0.1931(10) 0.6319(8) 1.0333(6) 0.076(5) Uani 1 1 d . . .
H74 H 0.2073 0.6648 1.0582 0.091 Uiso 1 1 calc R . .
C75 C 0.1262(10) 0.6097(9) 1.0267(6) 0.085(6) Uani 1 1 d . . .
H75 H 0.0933 0.6278 1.0473 0.102 Uiso 1 1 calc R . .
C76 C 0.1041(9) 0.5607(9) 0.9903(6) 0.079(5) Uani 1 1 d . . .
H76 H 0.0568 0.5460 0.9863 0.095 Uiso 1 1 calc R . .
C77 C 0.1528(6) 0.5342(6) 0.9603(5) 0.051(4) Uani 1 1 d . . .
H77 H 0.1387 0.5003 0.9360 0.061 Uiso 1 1 calc R . .
C78 C 0.1124(5) 0.1031(6) 0.9116(5) 0.040(3) Uani 1 1 d . . .
C79 C 0.0768(7) 0.1109(7) 0.9521(5) 0.058(4) Uani 1 1 d . . .
H79 H 0.0935 0.1434 0.9766 0.069 Uiso 1 1 calc R . .
C80 C 0.0149(9) 0.0709(11) 0.9581(7) 0.097(7) Uani 1 1 d . . .
H80 H -0.0081 0.0738 0.9870 0.117 Uiso 1 1 calc R . .
C81 C -0.0112(8) 0.0265(11) 0.9190(9) 0.110(9) Uani 1 1 d . . .
H81 H -0.0542 0.0022 0.9208 0.132 Uiso 1 1 calc R . .
C82 C 0.0241(8) 0.0189(8) 0.8803(7) 0.078(6) Uani 1 1 d . . .
H82 H 0.0079 -0.0135 0.8556 0.094 Uiso 1 1 calc R . .
C83 C 0.0847(6) 0.0578(7) 0.8754(5) 0.049(3) Uani 1 1 d . . .
H83 H 0.1078 0.0532 0.8465 0.058 Uiso 1 1 calc R . .
C84 C 0.2562(7) -0.0693(6) 0.9565(5) 0.047(3) Uani 1 1 d . . .
C85 C 0.1853(7) -0.0630(7) 0.9420(5) 0.055(4) Uani 1 1 d . . .
H85 H 0.1718 -0.0334 0.9152 0.066 Uiso 1 1 calc R . .
C86 C 0.1340(9) -0.0980(8) 0.9652(6) 0.077(5) Uani 1 1 d . . .
H86 H 0.0867 -0.0931 0.9533 0.092 Uiso 1 1 calc R . .
C87 C 0.1505(9) -0.1396(8) 1.0052(6) 0.077(5) Uani 1 1 d . . .
H87 H 0.1151 -0.1617 1.0219 0.092 Uiso 1 1 calc R . .
C88 C 0.2216(10) -0.1489(9) 1.0211(5) 0.084(5) Uani 1 1 d . . .
H88 H 0.2345 -0.1807 1.0469 0.100 Uiso 1 1 calc R . .
C89 C 0.2720(8) -0.1116(7) 0.9987(5) 0.055(4) Uani 1 1 d . . .
H89 H 0.3189 -0.1142 1.0119 0.066 Uiso 1 1 calc R . .
C90 C -0.1972(6) 0.2438(7) 0.5954(5) 0.050(3) Uani 1 1 d . . .
H90A H -0.2024 0.2852 0.5732 0.060 Uiso 1 1 calc R . .
H90B H -0.1992 0.1998 0.5756 0.060 Uiso 1 1 calc R . .
C91 C -0.2561(6) 0.2434(7) 0.6260(4) 0.048(3) Uani 1 1 d . . .
H91A H -0.2559 0.2881 0.6451 0.058 Uiso 1 1 calc R . .
H91B H -0.2511 0.2026 0.6488 0.058 Uiso 1 1 calc R . .
C92 C -0.3261(5) 0.2368(6) 0.5947(4) 0.038(3) Uani 1 1 d . . .
H92A H -0.3303 0.2764 0.5710 0.046 Uiso 1 1 calc R . .
H92B H -0.3272 0.1910 0.5767 0.046 Uiso 1 1 calc R . .
C93 C 0.5314(6) 0.3066(6) 0.6695(4) 0.038(3) Uani 1 1 d . . .
H93 H 0.5142 0.3521 0.6783 0.045 Uiso 1 1 calc R . .
C94 C 0.5849(6) 0.3047(6) 0.6423(4) 0.038(3) Uani 1 1 d . . .
H94 H 0.6046 0.3486 0.6327 0.046 Uiso 1 1 calc R . .
C95 C 0.6139(6) 0.2394(6) 0.6269(4) 0.034(3) Uani 1 1 d . . .
C96 C 0.5830(7) 0.1782(6) 0.6439(5) 0.048(3) Uani 1 1 d . . .
H96 H 0.6013 0.1324 0.6369 0.057 Uiso 1 1 calc R . .
C97 C 0.5259(6) 0.1834(6) 0.6710(4) 0.039(3) Uani 1 1 d . . .
H97 H 0.5038 0.1405 0.6799 0.046 Uiso 1 1 calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N1 2.024(8) . ?
Zn1 S1 2.329(3) . ?
Zn1 S3 2.341(3) . ?
Zn1 S2 2.356(3) . ?
Zn2 S5 2.319(3) . ?
Zn2 S4 2.333(3) . ?
Zn2 S6 2.346(3) . ?
Zn2 S2 2.349(3) . ?
Zn3 S4 2.319(3) . ?
Zn3 S14 2.335(3) . ?
Zn3 S11 2.350(3) . ?
Zn3 S3 2.353(3) . ?
Zn4 S12 2.305(3) . ?
Zn4 S4 2.329(3) . ?
Zn4 S7 2.344(3) . ?
Zn4 S1 2.359(3) . ?
Zn5 S9 2.309(3) . ?
Zn5 S10 2.311(3) . ?
Zn5 S4 2.337(3) . ?
Zn5 S8 2.352(3) . ?
Zn6 N2 2.039(10) . ?
Zn6 S8 2.327(3) . ?
Zn6 S6 2.330(3) . ?
Zn6 S7 2.333(3) . ?
Co1 S15 2.273(4) . ?
Co1 S9 2.370(3) . ?
Co1 S5 2.373(3) . ?
Co1 S14 2.393(3) . ?
Zn7 S13 2.260(3) . ?
Zn7 S10 2.361(3) . ?
Zn7 S11 2.368(3) . ?
Zn7 S12 2.387(3) . ?
S1 C18 1.756(12) . ?
S2 C6 1.796(11) . ?
S3 C12 1.760(11) . ?
S5 C24 1.764(11) . ?
S6 C30 1.784(12) . ?
S7 C36 1.772(11) . ?
S8 C42 1.777(10) . ?
S9 C48 1.755(14) . ?
S10 C54 1.768(12) . ?
S11 C60 1.802(12) . ?
S12 C66 1.778(11) . ?
S13 C72 1.756(12) . ?
S14 C78 1.777(11) . ?
S15 C84 1.742(14) . ?
N1 C1 1.307(14) . ?
N1 C5 1.314(15) . ?
N2 C97 1.344(13) . ?
N2 C93 1.352(13) . ?
C1 C2 1.318(16) . ?
C1 H1 0.9400 . ?
C2 C3 1.305(16) . ?
C2 H2 0.9400 . ?
C3 C4 1.400(17) . ?
C3 C90 1.498(14) . ?
C4 C5 1.371(17) . ?
C4 H4 0.9400 . ?
C5 H5 0.9400 . ?
C6 C11 1.347(16) . ?
C6 C7 1.394(15) . ?
C7 C8 1.384(19) . ?
C7 H7 0.9400 . ?
C8 C9 1.41(2) . ?
C8 H8 0.9400 . ?
C9 C10 1.344(19) . ?
C9 H9 0.9400 . ?
C10 C11 1.363(16) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 C13 1.370(16) . ?
C12 C17 1.401(15) . ?
C13 C14 1.312(19) . ?
C13 H13 0.9400 . ?
C14 C15 1.38(2) . ?
C14 H14 0.9400 . ?
C15 C16 1.35(2) . ?
C15 H15 0.9400 . ?
C16 C17 1.413(18) . ?
C16 H16 0.9400 . ?
C17 H17 0.9400 . ?
C18 C19 1.346(16) . ?
C18 C23 1.397(15) . ?
C19 C20 1.359(17) . ?
C19 H19 0.9400 . ?
C20 C21 1.364(18) . ?
C20 H20 0.9400 . ?
C21 C22 1.37(2) . ?
C21 H21 0.9400 . ?
C22 C23 1.387(18) . ?
C22 H22 0.9400 . ?
C23 H23 0.9400 . ?
C24 C25 1.364(16) . ?
C24 C29 1.393(16) . ?
C25 C26 1.372(16) . ?
C25 H25 0.9400 . ?
C26 C27 1.370(17) . ?
C26 H26 0.9400 . ?
C27 C28 1.34(2) . ?
C27 H27 0.9400 . ?
C28 C29 1.378(18) . ?
C28 H28 0.9400 . ?
C29 H29 0.9400 . ?
C30 C35 1.344(15) . ?
C30 C31 1.401(15) . ?
C31 C32 1.376(17) . ?
C31 H31 0.9400 . ?
C32 C33 1.385(19) . ?
C32 H32 0.9400 . ?
C33 C34 1.372(17) . ?
C33 H33 0.9400 . ?
C34 C35 1.410(15) . ?
C34 H34 0.9400 . ?
C35 H35 0.9400 . ?
C36 C37 1.346(16) . ?
C36 C41 1.390(15) . ?
C37 C38 1.37(2) . ?
C37 H37 0.9400 . ?
C38 C39 1.36(2) . ?
C38 H38 0.9400 . ?
C39 C40 1.38(2) . ?
C39 H39 0.9400 . ?
C40 C41 1.392(17) . ?
C40 H40 0.9400 . ?
C41 H41 0.9400 . ?
C42 C43 1.362(15) . ?
C42 C47 1.393(15) . ?
C43 C44 1.411(16) . ?
C43 H43 0.9400 . ?
C44 C45 1.313(18) . ?
C44 H44 0.9400 . ?
C45 C46 1.35(2) . ?
C45 H45 0.9400 . ?
C46 C47 1.392(18) . ?
C46 H46 0.9400 . ?
C47 H47 0.9400 . ?
C48 C53 1.363(18) . ?
C48 C49 1.42(2) . ?
C49 C50 1.415(19) . ?
C49 H49 0.9400 . ?
C50 C51 1.37(3) . ?
C50 H50 0.9400 . ?
C51 C52 1.33(3) . ?
C51 H51 0.9400 . ?
C52 C53 1.43(2) . ?
C52 H52 0.9400 . ?
C53 H53 0.9400 . ?
C54 C55 1.381(15) . ?
C54 C59 1.403(15) . ?
C55 C56 1.382(15) . ?
C55 H55 0.9400 . ?
C56 C57 1.366(17) . ?
C56 H56 0.9400 . ?
C57 C58 1.343(18) . ?
C57 H57 0.9400 . ?
C58 C59 1.356(16) . ?
C58 H58 0.9400 . ?
C59 H59 0.9400 . ?
C60 C65 1.355(15) . ?
C60 C61 1.371(16) . ?
C61 C62 1.384(17) . ?
C61 H61 0.9400 . ?
C62 C63 1.349(18) . ?
C62 H62 0.9400 . ?
C63 C64 1.319(18) . ?
C63 H63 0.9400 . ?
C64 C65 1.394(16) . ?
C64 H64 0.9400 . ?
C65 H65 0.9400 . ?
C66 C71 1.352(16) . ?
C66 C67 1.384(15) . ?
C67 C68 1.401(16) . ?
C67 H67 0.9400 . ?
C68 C69 1.334(18) . ?
C68 H68 0.9400 . ?
C69 C70 1.375(18) . ?
C69 H69 0.9400 . ?
C70 C71 1.376(16) . ?
C70 H70 0.9400 . ?
C71 H71 0.9400 . ?
C72 C77 1.357(16) . ?
C72 C73 1.388(16) . ?
C73 C74 1.398(19) . ?
C73 H73 0.9400 . ?
C74 C75 1.34(2) . ?
C74 H74 0.9400 . ?
C75 C76 1.39(2) . ?
C75 H75 0.9400 . ?
C76 C77 1.381(19) . ?
C76 H76 0.9400 . ?
C77 H77 0.9400 . ?
C78 C79 1.357(16) . ?
C78 C83 1.376(17) . ?
C79 C80 1.41(2) . ?
C79 H79 0.9400 . ?
C80 C81 1.41(3) . ?
C80 H80 0.9400 . ?
C81 C82 1.31(3) . ?
C81 H81 0.9400 . ?
C82 C83 1.378(18) . ?
C82 H82 0.9400 . ?
C83 H83 0.9400 . ?
C84 C85 1.385(17) . ?
C84 C89 1.413(17) . ?
C85 C86 1.371(19) . ?
C85 H85 0.9400 . ?
C86 C87 1.358(19) . ?
C86 H86 0.9400 . ?
C87 C88 1.40(2) . ?
C87 H87 0.9400 . ?
C88 C89 1.37(2) . ?
C88 H88 0.9400 . ?
C89 H89 0.9400 . ?
C90 C91 1.454(16) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C91 C92 1.538(14) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C92 C95 1.500(15) 1_455 ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C93 C94 1.312(15) . ?
C93 H93 0.9400 . ?
C94 C95 1.406(15) . ?
C94 H94 0.9400 . ?
C95 C96 1.375(15) . ?
C95 C92 1.500(15) 1_655 ?
C96 C97 1.371(15) . ?
C96 H96 0.9400 . ?
C97 H97 0.9400 . ?
