#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/49/1514981.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_1514981
loop_
_publ_author_name
'Dahl, Eric W.'
'Baddour, Frederick G.'
'Fiedler, Stephanie R.'
'Hoffert, Wesley A.'
'Shores, Matthew P.'
'Yee, Gordon T.'
'Djukic, Jean-Pierre'
'Bacon, Jeffrey W.'
'Rheingold, Arnold L.'
'Doerrer, Linda H.'
_publ_section_title
;
 Antiferromagnetic coupling across a tetrametallic unit through
 noncovalent interactions
;
_journal_issue                   2
_journal_name_full               'Chemical Science'
_journal_page_first              602
_journal_paper_doi               10.1039/c1sc00608h
_journal_volume                  3
_journal_year                    2012
_chemical_formula_sum            'C47 H60 Co O9.75 Pt S4'
_chemical_formula_weight         1163.21
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
SHELXL-97

rem squeeze used to account for unresolved solvent
rem squeeze found 1511e with a void of 3874 angstroms
rem associated with 38 THF "C4H8O" = C152,304H, 38O
rem old formula C224,H176, O40, S32, Co8 Pt8
REM NEW FORMULA C376 H480, O78, S32, Co8, Pt8
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.135(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.8140(8)
_cell_length_b                   16.6711(7)
_cell_length_c                   23.2989(14)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      65.54
_cell_measurement_theta_min      3.26
_cell_volume                     8855.2(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_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           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32723
_diffrn_reflns_theta_full        66.02
_diffrn_reflns_theta_max         66.02
_diffrn_reflns_theta_min         3.26
_exptl_absorpt_coefficient_mu    11.013
_exptl_absorpt_correction_T_max  0.4055
_exptl_absorpt_correction_T_min  0.2889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4712
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         7410
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0616P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1003
_reflns_number_gt                5941
_reflns_number_total             7410
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1sc00608h.txt
_cod_data_source_block           lhd256sq_Compound_2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      I2/a
_cod_database_code               1514981
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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
C1 C 0.6879(2) 0.1965(3) 0.1226(2) 0.0397(12) Uani 1 1 d D . .
C2 C 0.6613(2) 0.1158(3) 0.1279(2) 0.0489(13) Uani 1 1 d . . .
C3 C 0.6478(3) 0.0684(4) 0.0811(3) 0.076(2) Uani 1 1 d . . .
H3 H 0.6564 0.0862 0.0436 0.092 Uiso 1 1 calc R A .
C4 C 0.6212(4) -0.0061(5) 0.0891(3) 0.097(3) Uani 1 1 d . . .
H4 H 0.6101 -0.0374 0.0564 0.117 Uiso 1 1 calc R . .
C5 C 0.6110(4) -0.0353(5) 0.1425(4) 0.092(2) Uani 1 1 d . . .
H5 H 0.5940 -0.0868 0.1471 0.110 Uiso 1 1 calc R A .
C6 C 0.6255(3) 0.0108(4) 0.1892(3) 0.0718(19) Uani 1 1 d . . .
H6 H 0.6181 -0.0086 0.2265 0.086 Uiso 1 1 calc R . .
C7 C 0.6512(2) 0.0866(3) 0.1828(2) 0.0485(13) Uani 1 1 d . . .
H7 H 0.6616 0.1179 0.2157 0.058 Uiso 1 1 calc R A .
C8 C 0.8455(2) 0.2936(3) 0.14914(19) 0.0370(11) Uani 1 1 d D . .
C9 C 0.9048(2) 0.2654(4) 0.1690(2) 0.0488(13) Uani 1 1 d . . .
C10 C 0.9487(3) 0.2520(5) 0.1306(3) 0.074(2) Uani 1 1 d . . .
H10 H 0.9411 0.2605 0.0907 0.089 Uiso 1 1 calc R A .
C11 C 1.0049(3) 0.2258(6) 0.1505(3) 0.104(3) Uani 1 1 d . . .
H11 H 1.0345 0.2150 0.1240 0.124 Uiso 1 1 calc R . .
C12 C 1.0159(3) 0.2162(7) 0.2071(3) 0.119(4) Uani 1 1 d . . .
H12 H 1.0539 0.2008 0.2209 0.143 Uiso 1 1 calc R A .
C13 C 0.9719(4) 0.2288(8) 0.2454(3) 0.146(5) Uani 1 1 d . . .
H13 H 0.9796 0.2196 0.2852 0.175 Uiso 1 1 calc R . .
C14 C 0.9179(2) 0.2542(5) 0.2268(2) 0.070(2) Uani 1 1 d . . .
H14 H 0.8887 0.2644 0.2539 0.083 Uiso 1 1 calc R A .
C15 C 0.7762(2) 0.5082(3) 0.1421(2) 0.0416(12) Uani 1 1 d D . .
C16 C 0.7983(2) 0.5889(3) 0.1598(2) 0.0470(13) Uani 1 1 d . . .
C17 C 0.7926(3) 0.6128(4) 0.2148(3) 0.0704(18) Uani 1 1 d . . .
H17 H 0.7755 0.5769 0.2411 0.085 Uiso 1 1 calc R A .
C18 C 0.8106(4) 0.6874(5) 0.2342(4) 0.092(2) Uani 1 1 d . . .
H18 H 0.8044 0.7030 0.2727 0.110 Uiso 1 1 calc R . .
C19 C 0.8374(4) 0.7389(5) 0.1974(5) 0.113(3) Uani 1 1 d . . .
H19 H 0.8492 0.7909 0.2098 0.136 Uiso 1 1 calc R A .
C20 C 0.8468(4) 0.7131(5) 0.1413(5) 0.115(3) Uani 1 1 d . . .
H20 H 0.8675 0.7466 0.1161 0.138 Uiso 1 1 calc R . .
C21 C 0.8266(4) 0.6402(4) 0.1226(4) 0.088(2) Uani 1 1 d . . .
H21 H 0.8319 0.6244 0.0840 0.106 Uiso 1 1 calc R A .
C22 C 0.6192(2) 0.4154(3) 0.1148(2) 0.0454(13) Uani 1 1 d D . .
C23 C 0.5608(4) 0.4544(7) 0.1249(5) 0.047(5) Uani 0.470(7) 1 d PGD A 3
C24 C 0.5196(6) 0.4532(8) 0.0794(5) 0.086(5) Uani 0.470(7) 1 d PG A 3
H24A H 0.5290 0.4291 0.0440 0.103 Uiso 0.470(7) 1 calc PR A 3
C25 C 0.4646(6) 0.4872(8) 0.0859(5) 0.094(5) Uani 0.470(7) 1 d PG A 3
H25A H 0.4364 0.4863 0.0548 0.113 Uiso 0.470(7) 1 calc PR A 3
C26 C 0.4508(4) 0.5224(7) 0.1377(6) 0.072(6) Uani 0.470(7) 1 d PG A 3
H26A H 0.4132 0.5456 0.1421 0.086 Uiso 0.470(7) 1 calc PR A 3
C27 C 0.4920(4) 0.5236(8) 0.1832(5) 0.092(6) Uani 0.470(7) 1 d PG A 3
H27A H 0.4826 0.5477 0.2186 0.110 Uiso 0.470(7) 1 calc PR A 3
C28 C 0.5470(4) 0.4896(7) 0.1768(5) 0.076(5) Uani 0.470(7) 1 d PG A 3
H28A H 0.5752 0.4905 0.2078 0.091 Uiso 0.470(7) 1 calc PR A 3
C23A C 0.5565(3) 0.4462(6) 0.1120(4) 0.046(5) Uani 0.530(7) 1 d PGD A 4
C24A C 0.5330(5) 0.4994(8) 0.0714(4) 0.086(5) Uani 0.530(7) 1 d PG A 4
H24B H 0.5562 0.5172 0.0408 0.103 Uiso 0.530(7) 1 calc PR A 4
C25A C 0.4758(5) 0.5266(7) 0.0755(5) 0.094(5) Uani 0.530(7) 1 d PG A 4
H25B H 0.4597 0.5630 0.0477 0.113 Uiso 0.530(7) 1 calc PR A 4
C26A C 0.4419(3) 0.5006(7) 0.1203(5) 0.070(6) Uani 0.530(7) 1 d PG A 4
H26B H 0.4028 0.5192 0.1231 0.084 Uiso 0.530(7) 1 calc PR A 4
C27A C 0.4653(3) 0.4474(6) 0.1609(4) 0.080(5) Uani 0.530(7) 1 d PG A 4
H27B H 0.4422 0.4296 0.1915 0.096 Uiso 0.530(7) 1 calc PR A 4
C28A C 0.5226(3) 0.4202(5) 0.1568(4) 0.057(3) Uani 0.530(7) 1 d PG A 4
H28B H 0.5386 0.3838 0.1846 0.069 Uiso 0.530(7) 1 calc PR A 4
O1 O 0.7084(4) 0.2294(6) 0.1657(4) 0.037(3) Uani 0.496(6) 1 d PD A 1
O2 O 0.8129(4) 0.3286(5) 0.1848(4) 0.033(2) Uani 0.496(6) 1 d PD A 1
O3 O 0.7751(4) 0.4565(5) 0.1820(3) 0.043(2) Uani 0.496(6) 1 d PD A 1
O4 O 0.6507(4) 0.4172(6) 0.1614(4) 0.048(2) Uani 0.496(6) 1 d PD A 1
O1A O 0.6830(4) 0.2461(7) 0.1642(5) 0.049(3) Uani 0.504(6) 1 d PD A 2
O2A O 0.8052(4) 0.2902(6) 0.1840(4) 0.037(2) Uani 0.504(6) 1 d PD A 2
O3A O 0.7423(4) 0.4712(4) 0.1744(3) 0.0371(19) Uani 0.504(6) 1 d PD A 2
O4A O 0.6374(4) 0.3731(5) 0.1551(4) 0.044(2) Uani 0.504(6) 1 d PD A 2
O5 O 0.71317(19) 0.3507(2) 0.26066(16) 0.0470(9) Uani 1 1 d D A .
Co1 Co 0.72593(3) 0.35244(5) 0.17486(3) 0.03307(18) Uani 1 1 d D . .
Pt1 Pt 0.740472(8) 0.355662(13) 0.064765(8) 0.03491(9) Uani 1 1 d . . .
S1A S 0.7222(2) 0.21960(18) 0.06234(11) 0.0410(10) Uani 0.496(6) 1 d P A 1
S2A S 0.84115(13) 0.3300(3) 0.08219(11) 0.0370(9) Uani 0.496(6) 1 d P A 1
S3A S 0.7617(2) 0.4935(2) 0.07179(12) 0.0430(9) Uani 0.496(6) 1 d P A 1
S4A S 0.65352(15) 0.4302(3) 0.05003(12) 0.0396(9) Uani 0.496(6) 1 d P A 1
S1B S 0.68429(19) 0.23795(18) 0.05389(10) 0.0396(9) Uani 0.504(6) 1 d P A 2
S2B S 0.82445(14) 0.2809(3) 0.07793(10) 0.0394(10) Uani 0.504(6) 1 d P A 2
S3B S 0.7930(2) 0.4723(2) 0.07491(11) 0.0386(9) Uani 0.504(6) 1 d P A 2
S4B S 0.64261(15) 0.3847(4) 0.05176(13) 0.0473(10) Uani 0.504(6) 1 d P A 2
H5B H 0.6799(15) 0.353(6) 0.251(4) 0.16(5) Uiso 1 1 d D . .
H5A H 0.716(4) 0.370(5) 0.291(2) 0.14(4) Uiso 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 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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_3
O1 C1 O1A 29.6(5) .
O1 C1 C2 118.9(7) .
O1A C1 C2 118.4(7) .
O1 C1 S1A 114.1(6) .
O1A C1 S1A 122.8(7) .
C2 C1 S1A 118.9(4) .
O1 C1 S1B 125.5(6) .
O1A C1 S1B 115.9(7) .
C2 C1 S1B 115.5(4) .
S1A C1 S1B 31.54(14) .
C3 C2 C7 119.2(6) .
C3 C2 C1 122.4(5) .
C7 C2 C1 118.4(5) .
C2 C3 C4 119.5(7) .
C2 C3 H3 120.3 .
C4 C3 H3 120.3 .
C5 C4 C3 121.8(7) .
C5 C4 H4 119.1 .
C3 C4 H4 119.1 .
C6 C5 C4 118.9(7) .
C6 C5 H5 120.6 .
C4 C5 H5 120.6 .
C5 C6 C7 121.0(6) .
C5 C6 H6 119.5 .
C7 C6 H6 119.5 .
C2 C7 C6 119.6(6) .
C2 C7 H7 120.2 .
C6 C7 H7 120.2 .
O2A C8 O2 30.5(4) .
O2A C8 C9 117.7(6) .
O2 C8 C9 119.1(6) .
O2A C8 S2A 127.1(6) .
O2 C8 S2A 115.2(6) .
C9 C8 S2A 115.1(3) .
O2A C8 S2B 115.8(6) .
O2 C8 S2B 122.4(6) .
C9 C8 S2B 118.5(3) .
S2A C8 S2B 30.94(14) .
C14 C9 C10 118.2(5) .
C14 C9 C8 120.3(4) .
C10 C9 C8 121.5(5) .
C9 C10 C11 120.4(6) .
C9 C10 H10 119.8 .
C11 C10 H10 119.8 .
C12 C11 C10 119.5(7) .
C12 C11 H11 120.3 .
C10 C11 H11 120.3 .
C11 C12 C13 120.2(7) .
C11 C12 H12 119.9 .
C13 C12 H12 119.9 .
C14 C13 C12 120.8(7) .
C14 C13 H13 119.6 .
C12 C13 H13 119.6 .
C13 C14 C9 120.9(6) .
C13 C14 H14 119.6 .
C9 C14 H14 119.6 .
O3A C15 O3 36.9(4) .
O3A C15 C16 119.1(5) .
O3 C15 C16 115.3(6) .
O3A C15 S3A 114.1(5) .
O3 C15 S3A 127.4(5) .
C16 C15 S3A 117.0(4) .
O3A C15 S3B 122.1(5) .
O3 C15 S3B 116.0(5) .
C16 C15 S3B 118.5(4) .
S3A C15 S3B 26.98(13) .
C17 C16 C21 118.1(6) .
C17 C16 C15 119.0(5) .
C21 C16 C15 122.9(6) .
C16 C17 C18 122.5(7) .
C16 C17 H17 118.7 .
C18 C17 H17 118.7 .
C19 C18 C17 119.6(8) .
C19 C18 H18 120.2 .
C17 C18 H18 120.2 .
C18 C19 C20 118.5(8) .
C18 C19 H19 120.7 .
C20 C19 H19 120.7 .
C21 C20 C19 120.6(9) .
C21 C20 H20 119.7 .
C19 C20 H20 119.7 .
C20 C21 C16 120.5(8) .
C20 C21 H21 119.8 .
C16 C21 H21 119.8 .
O4A C22 O4 37.4(5) .
O4A C22 C23 113.7(7) .
O4 C22 C23 109.2(7) .
O4A C22 C23A 121.0(6) .
O4 C22 C23A 121.8(6) .
C23 C22 C23A 12.9(7) .
O4A C22 S4B 112.7(6) .
O4 C22 S4B 124.6(5) .
C23 C22 S4B 125.8(6) .
C23A C22 S4B 113.6(5) .
O4A C22 S4A 126.2(5) .
O4 C22 S4A 118.3(5) .
C23 C22 S4A 120.1(6) .
C23A C22 S4A 111.6(4) .
S4B C22 S4A 27.07(15) .
C24 C23 C28 120.0 .
C24 C23 C22 116.8(8) .
C28 C23 C22 123.2(8) .
C25 C24 C23 120.0 .
C25 C24 H24A 120.0 .
C23 C24 H24A 120.0 .
C24 C25 C26 120.0 .
C24 C25 H25A 120.0 .
C26 C25 H25A 120.0 .
C27 C26 C25 120.0 .
C27 C26 H26A 120.0 .
C25 C26 H26A 120.0 .
C28 C27 C26 120.0 .
C28 C27 H27A 120.0 .
C26 C27 H27A 120.0 .
C27 C28 C23 120.0 .
C27 C28 H28A 120.0 .
C23 C28 H28A 120.0 .
C24A C23A C28A 120.0 .
C24A C23A C22 125.6(6) .
C28A C23A C22 114.3(6) .
C23A C24A C25A 120.0 .
C23A C24A H24B 120.0 .
C25A C24A H24B 120.0 .
C26A C25A C24A 120.0 .
C26A C25A H25B 120.0 .
C24A C25A H25B 120.0 .
C27A C26A C25A 120.0 .
C27A C26A H26B 120.0 .
C25A C26A H26B 120.0 .
C26A C27A C28A 120.0 .
C26A C27A H27B 120.0 .
C28A C27A H27B 120.0 .
C27A C28A C23A 120.0 .
C27A C28A H28B 120.0 .
C23A C28A H28B 120.0 .
C1 O1 Co1 126.0(8) .
C8 O2 Co1 127.2(7) .
C15 O3 Co1 122.4(6) .
C22 O4 Co1 124.1(6) .
C1 O1A Co1 126.8(8) .
C8 O2A Co1 124.4(7) .
C15 O3A Co1 127.0(5) .
C22 O4A Co1 124.0(6) .
Co1 O5 H5B 84(7) .
Co1 O5 H5A 151(7) .
H5B O5 H5A 107(3) .
O3A Co1 O2 90.7(4) .
O3A Co1 O5 93.0(2) .
O2 Co1 O5 93.5(3) .
O3A Co1 O1A 160.6(4) .
O2 Co1 O1A 107.9(4) .
O5 Co1 O1A 91.2(4) .
O3A Co1 O4 68.6(4) .
O2 Co1 O4 159.1(4) .
O5 Co1 O4 90.5(3) .
O1A Co1 O4 92.5(5) .
O3A Co1 O3 22.6(2) .
O2 Co1 O3 68.3(4) .
O5 Co1 O3 91.7(3) .
O1A Co1 O3 175.3(4) .
O4 Co1 O3 91.1(4) .
O3A Co1 O4A 90.8(3) .
O2 Co1 O4A 173.6(4) .
O5 Co1 O4A 92.7(3) .
O1A Co1 O4A 70.1(4) .
O4 Co1 O4A 22.5(3) .
O3 Co1 O4A 113.4(3) .
O3A Co1 O2A 109.2(4) .
O2 Co1 O2A 18.5(3) .
O5 Co1 O2A 92.8(3) .
O1A Co1 O2A 89.4(4) .
O4 Co1 O2A 176.2(4) .
O3 Co1 O2A 86.8(4) .
O4A Co1 O2A 158.9(4) .
O3A Co1 O1 173.9(4) .
O2 Co1 O1 90.2(4) .
O5 Co1 O1 93.0(3) .
O1A Co1 O1 17.8(3) .
O4 Co1 O1 110.2(4) .
O3 Co1 O1 158.2(4) .
O4A Co1 O1 87.7(4) .
O2A Co1 O1 71.7(4) .
O3A Co1 Pt1 86.8(2) .
O2 Co1 Pt1 87.5(3) .
O5 Co1 Pt1 179.02(13) .
O1A Co1 Pt1 88.6(3) .
O4 Co1 Pt1 88.6(2) .
O3 Co1 Pt1 88.5(2) .
O4A Co1 Pt1 86.4(3) .
O2A Co1 Pt1 88.2(3) .
O1 Co1 Pt1 87.2(3) .
S3B Pt1 S4B 109.7(2) .
S3B Pt1 S2B 90.94(12) .
S4B Pt1 S2B 159.3(2) .
S3B Pt1 S1A 158.47(12) .
S4B Pt1 S1A 91.7(2) .
S2B Pt1 S1A 67.57(13) .
S3B Pt1 S3A 19.72(8) .
S4B Pt1 S3A 90.0(2) .
S2B Pt1 S3A 110.63(13) .
S1A Pt1 S3A 177.06(10) .
S3B Pt1 S1B 178.49(12) .
S4B Pt1 S1B 68.8(2) .
S2B Pt1 S1B 90.57(12) .
S1A Pt1 S1B 23.04(8) .
S3A Pt1 S1B 158.78(12) .
S3B Pt1 S4A 90.1(2) .
S4B Pt1 S4A 19.79(9) .
S2B Pt1 S4A 178.81(18) .
S1A Pt1 S4A 111.4(2) .
S3A Pt1 S4A 70.4(2) .
S1B Pt1 S4A 88.4(2) .
S3B Pt1 S2A 68.52(12) .
S4B Pt1 S2A 177.16(17) .
S2B Pt1 S2A 22.43(8) .
S1A Pt1 S2A 89.98(12) .
S3A Pt1 S2A 88.20(13) .
S1B Pt1 S2A 112.99(12) .
S4A Pt1 S2A 158.6(2) .
S3B Pt1 Co1 90.07(7) .
S4B Pt1 Co1 88.59(8) .
S2B Pt1 Co1 89.63(6) .
S1A Pt1 Co1 88.52(6) .
S3A Pt1 Co1 89.14(7) .
S1B Pt1 Co1 90.00(6) .
S4A Pt1 Co1 90.98(7) .
S2A Pt1 Co1 89.18(6) .
S3B Pt1 Pt1 90.50(6) 2_655
S4B Pt1 Pt1 92.46(8) 2_655
S2B Pt1 Pt1 89.04(6) 2_655
S1A Pt1 Pt1 90.46(6) 2_655
S3A Pt1 Pt1 91.84(7) 2_655
S1B Pt1 Pt1 89.46(6) 2_655
S4A Pt1 Pt1 90.35(7) 2_655
S2A Pt1 Pt1 89.80(6) 2_655
Co1 Pt1 Pt1 178.560(18) 2_655
C1 S1A Pt1 107.1(2) .
C8 S2A Pt1 104.4(2) .
C15 S3A Pt1 104.1(2) .
C22 S4A Pt1 101.6(2) .
C1 S1B Pt1 103.0(2) .
C8 S2B Pt1 105.2(2) .
C15 S3B Pt1 104.7(2) .
C22 S4B Pt1 107.0(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.222(10) .
C1 O1A 1.281(11) .
C1 C2 1.483(7) .
C1 S1A 1.678(5) .
C1 S1B 1.743(5) .
C2 C3 1.373(8) .
C2 C7 1.396(7) .
C3 C4 1.398(9) .
C3 H3 0.9500 .
C4 C5 1.365(10) .
C4 H4 0.9500 .
C5 C6 1.362(10) .
C5 H5 0.9500 .
C6 C7 1.403(8) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 O2A 1.249(9) .
C8 O2 1.276(10) .
C8 C9 1.490(7) .
C8 S2A 1.673(5) .
C8 S2B 1.723(5) .
C9 C14 1.383(7) .
C9 C10 1.385(7) .
C10 C11 1.415(9) .
C10 H10 0.9500 .
C11 C12 1.342(10) .
C11 H11 0.9500 .
C12 C13 1.383(10) .
C12 H12 0.9500 .
C13 C14 1.360(9) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 O3A 1.260(8) .
C15 O3 1.269(8) .
C15 C16 1.489(7) .
C15 S3A 1.678(6) .
C15 S3B 1.733(6) .
C16 C17 1.353(8) .
C16 C21 1.394(9) .
C17 C18 1.381(10) .
C17 H17 0.9500 .
C18 C19 1.372(12) .
C18 H18 0.9500 .
C19 C20 1.401(12) .
C19 H19 0.9500 .
C20 C21 1.365(10) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 O4A 1.234(9) .
C22 O4 1.281(10) .
C22 C23 1.509(9) .
C22 C23A 1.519(8) .
C22 S4B 1.662(6) .
C22 S4A 1.743(6) .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 C25 1.3900 .
C24 H24A 0.9500 .
C25 C26 1.3900 .
C25 H25A 0.9500 .
C26 C27 1.3900 .
C26 H26A 0.9500 .
C27 C28 1.3900 .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C23A C24A 1.3900 .
C23A C28A 1.3900 .
C24A C25A 1.3900 .
C24A H24B 0.9500 .
C25A C26A 1.3900 .
C25A H25B 0.9500 .
C26A C27A 1.3900 .
C26A H26B 0.9500 .
C27A C28A 1.3900 .
C27A H27B 0.9500 .
C28A H28B 0.9500 .
O1 Co1 2.099(10) .
O2 Co1 2.029(9) .
O3 Co1 2.069(8) .
O4 Co1 2.041(8) .
O1A Co1 2.036(11) .
O2A Co1 2.090(9) .
O3A Co1 2.015(7) .
O4A Co1 2.083(8) .
O5 Co1 2.031(4) .
O5 H5B 0.79(2) .
O5 H5A 0.77(2) .
Co1 Pt1 2.5993(8) .
Pt1 S3B 2.292(3) .
Pt1 S4B 2.293(3) .
Pt1 S2B 2.297(2) .
Pt1 S1A 2.307(3) .
Pt1 S3A 2.352(3) .
Pt1 S1B 2.352(3) .
Pt1 S4A 2.355(3) .
Pt1 S2A 2.357(3) .
Pt1 Pt1 3.0651(4) 2_655
