#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:57:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179163 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/24/4312430.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_4312430
loop_
_publ_author_name
'Peili Teo'
'L. L. Koh'
'T. S. Andy Hor'
_publ_section_title
;
 Unusual Coordination Assemblies from Platinum(II) Thienyl and Bithienyl
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7290
_journal_page_last               7296
_journal_paper_doi               10.1021/ic034690u
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C42 H34 Cl9 F3 Fe O3 P2 Pt S2'
_chemical_formula_weight         1339.74
_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                99.2230(10)
_cell_angle_beta                 100.7800(10)
_cell_angle_gamma                97.7680(10)
_cell_formula_units_Z            4
_cell_length_a                   14.0474(9)
_cell_length_b                   14.3402(9)
_cell_length_c                   26.0749(17)
_cell_measurement_temperature    223(2)
_cell_volume                     5018.8(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0811
_diffrn_reflns_av_sigmaI/netI    0.0932
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            53003
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    3.748
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2624
_refine_diff_density_max         2.245
_refine_diff_density_min         -2.853
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1198
_refine_ls_number_reflns         17653
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0604P)²+39.2267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1463
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                12934
_reflns_number_total             17653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034690usi20030619_111455.cif
_cod_data_source_block           3033
_cod_database_code               4312430
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_assembly
_atom_site_disorder_group
Pt1 Pt 0.94153(3) 0.23958(3) 0.286337(16) 0.01800(11) Uani 1 1 d . . .
Pt2 Pt 0.64405(3) 0.17774(3) 0.225369(16) 0.01864(12) Uani 1 1 d . . .
Fe1 Fe 0.42481(10) 0.28307(11) 0.12278(6) 0.0259(4) Uani 1 1 d . . .
Fe2 Fe 1.18568(11) 0.47276(11) 0.32677(6) 0.0274(4) Uani 1 1 d . . .
P1 P 1.05402(18) 0.28797(18) 0.23544(11) 0.0199(6) Uani 1 1 d . . .
P2 P 1.0049(2) 0.34091(19) 0.36574(11) 0.0233(6) Uani 1 1 d . . .
P3 P 0.53990(18) 0.28569(19) 0.24683(11) 0.0220(6) Uani 1 1 d . . .
P4 P 0.58662(18) 0.12958(19) 0.13677(11) 0.0198(6) Uani 1 1 d . . .
S1 S 0.85742(17) 0.12406(18) 0.20866(10) 0.0210(6) Uani 1 1 d . . .
S2 S 0.72383(18) 0.21708(19) 0.31775(10) 0.0226(6) Uani 1 1 d . . .
C1 C 0.7368(7) 0.0838(7) 0.2170(4) 0.020(2) Uani 1 1 d . . .
C2 C 0.7320(8) -0.0094(8) 0.2206(5) 0.030(3) Uani 1 1 d . . .
H2 H 0.6740 -0.0464 0.2243 0.036 Uiso 1 1 calc R . .
C3 C 0.8198(8) -0.0492(8) 0.2185(5) 0.039(3) Uani 1 1 d . . .
H3 H 0.8233 -0.1138 0.2198 0.047 Uiso 1 1 calc R . .
C4 C 0.8960(8) 0.0135(7) 0.2144(5) 0.031(3) Uani 1 1 d . . .
H4 H 0.9600 0.0008 0.2145 0.037 Uiso 1 1 calc R . .
C5 C 0.8400(7) 0.1786(7) 0.3247(4) 0.020(2) Uani 1 1 d . . .
C6 C 0.8393(8) 0.1078(8) 0.3505(5) 0.032(3) Uani 1 1 d . . .
H6 H 0.8948 0.0789 0.3593 0.038 Uiso 1 1 calc R . .
C7 C 0.7471(8) 0.0775(9) 0.3642(5) 0.036(3) Uani 1 1 d . . .
H7 H 0.7372 0.0275 0.3830 0.043 Uiso 1 1 calc R . .
C8 C 0.6761(8) 0.1273(8) 0.3479(5) 0.032(3) Uani 1 1 d . . .
H8 H 0.6108 0.1153 0.3522 0.038 Uiso 1 1 calc R . .
C9 C 1.1719(7) 0.3619(7) 0.2664(4) 0.025(2) Uani 1 1 d . . .
C10 C 1.2160(8) 0.4467(7) 0.2526(5) 0.029(3) Uani 1 1 d . . .
H10 H 1.1873 0.4750 0.2223 0.034 Uiso 1 1 calc R . .
C11 C 1.3027(8) 0.4880(9) 0.2900(5) 0.040(3) Uani 1 1 d . . .
H11 H 1.3458 0.5488 0.2904 0.048 Uiso 1 1 calc R . .
C12 C 1.3180(8) 0.4262(9) 0.3264(5) 0.040(3) Uani 1 1 d . . .
H12 H 1.3738 0.4370 0.3574 0.047 Uiso 1 1 calc R . .
C13 C 1.2366(7) 0.3480(7) 0.3133(4) 0.027(3) Uani 1 1 d . . .
H13 H 1.2278 0.2940 0.3322 0.033 Uiso 1 1 calc R . .
C14 C 1.0774(8) 0.4535(7) 0.3653(4) 0.025(2) Uani 1 1 d . . .
C15 C 1.1663(8) 0.5011(8) 0.4024(5) 0.036(3) Uani 1 1 d . . .
H15 H 1.2005 0.4765 0.4329 0.043 Uiso 1 1 calc R . .
C16 C 1.1977(9) 0.5890(9) 0.3869(5) 0.042(3) Uani 1 1 d . . .
H16 H 1.2586 0.6352 0.4041 0.051 Uiso 1 1 calc R . .
C17 C 1.1280(9) 0.5975(8) 0.3408(5) 0.041(3) Uani 1 1 d . . .
H17 H 1.1326 0.6503 0.3207 0.049 Uiso 1 1 calc R . .
C18 C 1.0535(8) 0.5140(7) 0.3273(5) 0.031(3) Uani 1 1 d . . .
H18 H 0.9962 0.4999 0.2970 0.037 Uiso 1 1 calc R . .
C19 C 0.4293(7) 0.2928(7) 0.2009(4) 0.022(2) Uani 1 1 d . . .
C20 C 0.4005(8) 0.3775(8) 0.1845(5) 0.035(3) Uani 1 1 d . . .
H20 H 0.4362 0.4439 0.1981 0.042 Uiso 1 1 calc R . .
C21 C 0.3125(7) 0.3486(8) 0.1439(4) 0.029(3) Uani 1 1 d . . .
H21 H 0.2779 0.3920 0.1241 0.034 Uiso 1 1 calc R . .
C22 C 0.2854(7) 0.2474(9) 0.1350(5) 0.033(3) Uani 1 1 d . . .
H22 H 0.2283 0.2078 0.1088 0.039 Uiso 1 1 calc R . .
C23 C 0.3574(7) 0.2131(8) 0.1718(4) 0.029(3) Uani 1 1 d . . .
H23 H 0.3581 0.1453 0.1749 0.034 Uiso 1 1 calc R . .
C24 C 0.5295(7) 0.2122(8) 0.1019(4) 0.025(2) Uani 1 1 d . . .
C25 C 0.4433(8) 0.1924(10) 0.0584(4) 0.037(3) Uani 1 1 d . . .
H25 H 0.4030 0.1287 0.0424 0.045 Uiso 1 1 calc R . .
C26 C 0.4261(9) 0.2799(11) 0.0444(5) 0.045(3) Uani 1 1 d . . .
H26 H 0.3701 0.2880 0.0171 0.054 Uiso 1 1 calc R . .
C27 C 0.4979(9) 0.3532(10) 0.0749(5) 0.044(4) Uani 1 1 d . . .
H27 H 0.5021 0.4221 0.0732 0.053 Uiso 1 1 calc R . .
C28 C 0.5614(8) 0.3136(9) 0.1110(5) 0.037(3) Uani 1 1 d . . .
H28 H 0.6190 0.3501 0.1380 0.045 Uiso 1 1 calc R . .
C1A C 1.0876(7) 0.1819(7) 0.1996(4) 0.022(2) Uani 1 1 d . . .
C2A C 1.1541(7) 0.1329(8) 0.2288(5) 0.027(3) Uani 1 1 d . . .
H2A H 1.1815 0.1575 0.2650 0.032 Uiso 1 1 calc R . .
C3A C 1.1787(8) 0.0492(8) 0.2042(5) 0.035(3) Uani 1 1 d . . .
H3A H 1.2227 0.0174 0.2238 0.041 Uiso 1 1 calc R . .
C4A C 1.1392(8) 0.0122(8) 0.1513(5) 0.038(3) Uani 1 1 d . . .
H4A H 1.1575 -0.0436 0.1345 0.045 Uiso 1 1 calc R . .
C5A C 1.0714(8) 0.0586(8) 0.1223(5) 0.035(3) Uani 1 1 d . . .
H5A H 1.0425 0.0325 0.0865 0.042 Uiso 1 1 calc R . .
C6A C 1.0473(8) 0.1430(8) 0.1470(4) 0.027(2) Uani 1 1 d . . .
H6A H 1.0026 0.1741 0.1273 0.032 Uiso 1 1 calc R . .
C1B C 0.9994(7) 0.3488(7) 0.1849(4) 0.019(2) Uani 1 1 d . . .
C2B C 1.0445(8) 0.3686(7) 0.1431(4) 0.028(3) Uani 1 1 d . . .
H2B H 1.1052 0.3497 0.1405 0.034 Uiso 1 1 calc R . .
C3B C 0.9981(9) 0.4167(8) 0.1054(5) 0.037(3) Uani 1 1 d . . .
H3B H 1.0274 0.4282 0.0770 0.044 Uiso 1 1 calc R . .
C4B C 0.9117(9) 0.4471(8) 0.1092(5) 0.039(3) Uani 1 1 d . . .
H4B H 0.8823 0.4806 0.0841 0.047 Uiso 1 1 calc R . .
C5B C 0.8679(8) 0.4283(8) 0.1501(5) 0.037(3) Uani 1 1 d . . .
H5B H 0.8081 0.4492 0.1528 0.044 Uiso 1 1 calc R . .
C6B C 0.9103(7) 0.3790(8) 0.1875(5) 0.030(3) Uani 1 1 d . . .
H6B H 0.8785 0.3659 0.2148 0.036 Uiso 1 1 calc R . .
C1C C 1.0825(8) 0.2790(7) 0.4079(4) 0.028(3) Uani 1 1 d . . .
C2C C 1.1059(8) 0.1916(8) 0.3872(5) 0.030(3) Uani 1 1 d . . .
H2C H 1.0788 0.1630 0.3515 0.036 Uiso 1 1 calc R . .
C3C C 1.1690(9) 0.1455(10) 0.4187(5) 0.049(4) Uani 1 1 d . . .
H3C H 1.1845 0.0863 0.4045 0.059 Uiso 1 1 calc R . .
C4C C 1.2083(9) 0.1893(10) 0.4714(5) 0.050(4) Uani 1 1 d . . .
H4C H 1.2515 0.1600 0.4932 0.060 Uiso 1 1 calc R . .
C5C C 1.1838(10) 0.2767(10) 0.4922(5) 0.047(3) Uani 1 1 d . . .
H5C H 1.2103 0.3053 0.5279 0.057 Uiso 1 1 calc R . .
C6C C 1.1221(9) 0.3212(9) 0.4614(5) 0.036(3) Uani 1 1 d . . .
H6C H 1.1062 0.3800 0.4759 0.044 Uiso 1 1 calc R . .
C1D C 0.9133(8) 0.3763(7) 0.4027(4) 0.026(2) Uani 1 1 d . . .
C2D C 0.8819(9) 0.3265(9) 0.4399(5) 0.037(3) Uani 1 1 d . . .
H2D H 0.9104 0.2736 0.4481 0.045 Uiso 1 1 calc R . .
C3D C 0.8087(10) 0.3549(11) 0.4649(5) 0.050(4) Uani 1 1 d . . .
H3D H 0.7894 0.3221 0.4908 0.061 Uiso 1 1 calc R . .
C4D C 0.7637(9) 0.4308(10) 0.4523(5) 0.048(4) Uani 1 1 d . . .
H4D H 0.7136 0.4491 0.4690 0.057 Uiso 1 1 calc R . .
C5D C 0.7933(9) 0.4793(9) 0.4147(5) 0.040(3) Uani 1 1 d . . .
H5D H 0.7630 0.5307 0.4056 0.049 Uiso 1 1 calc R . .
C6D C 0.8685(7) 0.4518(8) 0.3901(4) 0.029(3) Uani 1 1 d . . .
H6D H 0.8886 0.4853 0.3648 0.035 Uiso 1 1 calc R . .
C1E C 0.6064(8) 0.4080(8) 0.2653(4) 0.027(2) Uani 1 1 d . . .
C2E C 0.7018(7) 0.4260(8) 0.2552(5) 0.029(3) Uani 1 1 d . . .
H2E H 0.7304 0.3760 0.2399 0.035 Uiso 1 1 calc R . .
C3E C 0.7523(8) 0.5194(9) 0.2687(5) 0.041(3) Uani 1 1 d . . .
H3E H 0.8148 0.5325 0.2608 0.049 Uiso 1 1 calc R . .
C4E C 0.7151(9) 0.5921(9) 0.2926(5) 0.045(3) Uani 1 1 d . . .
H4E H 0.7516 0.6546 0.3016 0.054 Uiso 1 1 calc R . .
C5E C 0.6239(10) 0.5747(8) 0.3038(5) 0.042(3) Uani 1 1 d . . .
H5E H 0.5981 0.6256 0.3206 0.051 Uiso 1 1 calc R . .
C6E C 0.5697(9) 0.4851(8) 0.2913(5) 0.035(3) Uani 1 1 d . . .
H6E H 0.5077 0.4744 0.3000 0.042 Uiso 1 1 calc R . .
C1F C 0.4964(7) 0.2604(7) 0.3062(4) 0.024(2) Uani 1 1 d . . .
C2F C 0.5413(8) 0.3102(8) 0.3573(5) 0.031(3) Uani 1 1 d . . .
H2F H 0.5922 0.3627 0.3622 0.037 Uiso 1 1 calc R . .
C3F C 0.5106(9) 0.2820(10) 0.4006(5) 0.041(3) Uani 1 1 d . . .
H3F H 0.5414 0.3159 0.4349 0.050 Uiso 1 1 calc R . .
C4F C 0.4364(9) 0.2060(10) 0.3950(5) 0.045(3) Uani 1 1 d . . .
H4F H 0.4159 0.1892 0.4251 0.054 Uiso 1 1 calc R . .
C5F C 0.3921(8) 0.1542(9) 0.3450(5) 0.037(3) Uani 1 1 d . . .
H5F H 0.3420 0.1013 0.3408 0.044 Uiso 1 1 calc R . .
C6F C 0.4226(8) 0.1813(9) 0.2999(5) 0.035(3) Uani 1 1 d . . .
H6F H 0.3930 0.1460 0.2657 0.042 Uiso 1 1 calc R . .
C1G C 0.4949(7) 0.0213(7) 0.1229(4) 0.024(2) Uani 1 1 d . . .
C2G C 0.4575(8) -0.0106(8) 0.1632(5) 0.029(3) Uani 1 1 d . . .
H2G H 0.4817 0.0217 0.1986 0.035 Uiso 1 1 calc R . .
C3G C 0.3840(8) -0.0904(9) 0.1518(5) 0.039(3) Uani 1 1 d . . .
H3G H 0.3578 -0.1112 0.1795 0.047 Uiso 1 1 calc R . .
C4G C 0.3496(9) -0.1388(9) 0.1013(6) 0.046(3) Uani 1 1 d . . .
H4G H 0.2985 -0.1917 0.0941 0.055 Uiso 1 1 calc R . .
C5G C 0.3886(9) -0.1114(9) 0.0609(6) 0.046(3) Uani 1 1 d . . .
H5G H 0.3658 -0.1466 0.0260 0.055 Uiso 1 1 calc R . .
C6G C 0.4628(8) -0.0305(9) 0.0713(5) 0.038(3) Uani 1 1 d . . .
H6G H 0.4905 -0.0117 0.0436 0.045 Uiso 1 1 calc R . .
C1H C 0.6804(7) 0.1033(8) 0.0992(4) 0.025(2) Uani 1 1 d . . .
C2H C 0.7338(7) 0.1785(8) 0.0839(4) 0.029(3) Uani 1 1 d . . .
H2H H 0.7207 0.2410 0.0926 0.035 Uiso 1 1 calc R . .
C3H C 0.8078(8) 0.1616(9) 0.0555(5) 0.037(3) Uani 1 1 d . . .
H3H H 0.8447 0.2125 0.0453 0.044 Uiso 1 1 calc R . .
C4H C 0.8254(9) 0.0690(10) 0.0429(5) 0.042(3) Uani 1 1 d . . .
H4H H 0.8737 0.0570 0.0234 0.050 Uiso 1 1 calc R . .
C5H C 0.7729(9) -0.0066(10) 0.0586(5) 0.044(3) Uani 1 1 d . . .
H5H H 0.7861 -0.0692 0.0504 0.052 Uiso 1 1 calc R . .
C6H C 0.7003(8) 0.0119(8) 0.0869(4) 0.033(3) Uani 1 1 d . . .
H6H H 0.6644 -0.0388 0.0978 0.040 Uiso 1 1 calc R . .
S3 S 0.8635(2) 0.7043(2) 0.02935(15) 0.0443(8) Uani 1 1 d . . .
O1 O 0.8101(8) 0.6580(8) -0.0230(5) 0.085(4) Uani 1 1 d . . .
O2 O 0.8081(12) 0.7582(9) 0.0582(7) 0.131(6) Uani 1 1 d . . .
O3 O 0.9224(9) 0.6470(8) 0.0559(5) 0.081(4) Uani 1 1 d . . .
C29 C 0.9517(11) 0.7952(10) 0.0152(6) 0.053(4) Uani 1 1 d . . .
F1 F 0.9104(9) 0.8615(7) -0.0061(5) 0.100(4) Uani 1 1 d . . .
F2 F 0.9989(9) 0.7586(7) -0.0193(6) 0.137(6) Uani 1 1 d . . .
F3 F 1.0125(10) 0.8425(9) 0.0573(5) 0.145(6) Uani 1 1 d . . .
S4 S 0.5177(5) 0.7111(3) 0.42788(18) 0.0900(18) Uani 1 1 d . . .
O4 O 0.493(2) 0.7692(13) 0.4680(6) 0.216(12) Uani 1 1 d U . .
O5 O 0.6185(13) 0.7390(12) 0.4204(6) 0.166(10) Uani 1 1 d U . .
O6 O 0.4494(8) 0.6809(8) 0.3790(4) 0.077(3) Uani 1 1 d . . .
C30 C 0.5295(10) 0.6022(10) 0.4535(5) 0.045(3) Uani 1 1 d . . .
F4 F 0.4420(7) 0.5649(9) 0.4602(4) 0.099(4) Uani 1 1 d . . .
F5 F 0.5907(6) 0.6164(6) 0.4986(3) 0.069(2) Uani 1 1 d . . .
F6 F 0.5517(9) 0.5371(7) 0.4186(4) 0.091(3) Uani 1 1 d . . .
C1S C 0.7428(12) 0.4333(10) 0.9530(7) 0.071(5) Uani 1 1 d . . .
H1S H 0.7564 0.5036 0.9657 0.085 Uiso 1 1 calc R . .
Cl1A Cl 0.6799(4) 0.3785(3) 0.9956(2) 0.0900(15) Uani 1 1 d . . .
Cl1B Cl 0.8567(3) 0.3898(3) 0.9547(2) 0.0830(13) Uani 1 1 d . . .
Cl1C Cl 0.6747(5) 0.4071(4) 0.8881(2) 0.120(2) Uani 1 1 d . . .
C2S C 0.4328(14) 0.8063(12) 0.2923(7) 0.079(5) Uani 1 1 d . . .
H2S H 0.4447 0.7798 0.3253 0.094 Uiso 1 1 calc R . .
Cl2A Cl 0.4791(7) 0.9227(5) 0.3051(3) 0.184(4) Uani 1 1 d . . .
Cl2B Cl 0.3065(6) 0.7968(10) 0.2678(4) 0.255(7) Uani 1 1 d U . .
Cl2C Cl 0.4684(11) 0.7400(7) 0.2449(3) 0.252(7) Uani 1 1 d U . .
C3S C 0.0050(13) 0.7034(12) 0.1825(7) 0.074(5) Uani 1 1 d . . .
H3S H -0.0136 0.6833 0.1434 0.089 Uiso 1 1 calc R . .
Cl3A Cl -0.1034(6) 0.6862(4) 0.2058(3) 0.146(3) Uani 1 1 d . . .
Cl3B Cl 0.0540(5) 0.8220(4) 0.1952(3) 0.136(3) Uani 1 1 d . . .
Cl3C Cl 0.0842(5) 0.6345(4) 0.2043(3) 0.131(3) Uani 1 1 d . . .
C4S C 0.6549(13) 0.6873(14) 0.1171(7) 0.078(5) Uani 1 1 d . . .
H4S H 0.7222 0.7215 0.1196 0.094 Uiso 1 1 calc R . .
Cl4A Cl 0.6290(6) 0.5845(4) 0.0669(3) 0.148(3) Uani 1 1 d U . .
Cl4B Cl 0.6472(6) 0.6504(10) 0.1763(3) 0.228(6) Uani 1 1 d U . .
Cl4C Cl 0.5725(4) 0.7615(3) 0.1039(2) 0.0938(16) Uani 1 1 d . . .
C6S C 0.9490(17) 0.8355(16) 0.3967(11) 0.10(2) Uani 0.30 1 d PDU A 1
H6S H 0.8770 0.8327 0.3918 0.115 Uiso 0.30 1 calc PR A 1
Cl6A Cl 1.015(3) 0.921(2) 0.4520(12) 0.35(3) Uani 0.30 1 d PDU A 1
Cl6B Cl 0.993(2) 0.865(2) 0.3420(10) 0.179(12) Uani 0.30 1 d PD A 1
Cl6C Cl 0.9851(18) 0.7260(17) 0.4062(13) 0.122(12) Uani 0.30 1 d PD A 1
C6S1 C 0.8649(12) 0.8208(9) 0.3966(5) 0.111(10) Uani 0.70 1 d PDU B 2
H6S1 H 0.8028 0.7980 0.4070 0.133 Uiso 0.70 1 calc PR B 2
Cl61 Cl 0.9327(10) 0.9232(6) 0.4405(3) 0.142(4) Uani 0.70 1 d PD B 2
Cl62 Cl 0.8445(13) 0.8504(6) 0.3339(4) 0.235(9) Uani 0.70 1 d PDU B 2
Cl63 Cl 0.9431(9) 0.7338(7) 0.3956(6) 0.124(4) Uani 0.70 1 d PD B 2
C5S C 0.3412(11) 0.9035(13) 0.4781(6) 0.111(15) Uani 0.50 1 d PDU C 1
H5S H 0.3819 0.8536 0.4844 0.133 Uiso 0.50 1 calc PR C 1
Cl5A Cl 0.3391(13) 0.9349(14) 0.4158(6) 0.247(17) Uani 0.50 1 d PDU C 1
Cl5C Cl 0.3822(10) 1.0091(12) 0.5252(6) 0.163(8) Uani 0.50 1 d PD C 1
C5S1 C 0.3221(12) 0.8927(11) 0.4542(7) 0.083(11) Uani 0.50 1 d PDU C 2
H5S1 H 0.3696 0.8489 0.4613 0.099 Uiso 0.50 1 calc PR C 2
Cl51 Cl 0.2740(18) 0.8823(17) 0.3863(5) 0.227(13) Uani 0.50 1 d PD C 2
Cl53 Cl 0.3742(9) 1.0124(8) 0.4785(10) 0.241(16) Uani 0.50 1 d PDU C 2
Cl5B Cl 0.2184(9) 0.8677(9) 0.4811(5) 0.286(6) Uani 1 1 d DU . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C5 Pt1 P2 85.6(3) . . ?
C5 Pt1 P1 172.2(3) . . ?
P2 Pt1 P1 101.19(9) . . ?
C5 Pt1 S1 86.4(3) . . ?
P2 Pt1 S1 172.00(9) . . ?
P1 Pt1 S1 86.80(9) . . ?
C1 Pt2 P4 85.4(3) . . ?
C1 Pt2 P3 172.6(3) . . ?
P4 Pt2 P3 101.57(10) . . ?
C1 Pt2 S2 86.7(3) . . ?
P4 Pt2 S2 171.92(9) . . ?
P3 Pt2 S2 86.41(9) . . ?
C28 Fe1 C24 41.8(4) . . ?
C28 Fe1 C19 109.6(5) . . ?
C24 Fe1 C19 110.1(4) . . ?
C28 Fe1 C25 69.3(5) . . ?
C24 Fe1 C25 42.3(4) . . ?
C19 Fe1 C25 141.5(5) . . ?
C28 Fe1 C23 137.1(5) . . ?
C24 Fe1 C23 109.0(4) . . ?
C19 Fe1 C23 41.2(4) . . ?
C25 Fe1 C23 112.5(5) . . ?
C28 Fe1 C26 68.0(5) . . ?
C24 Fe1 C26 69.6(4) . . ?
C19 Fe1 C26 176.8(5) . . ?
C25 Fe1 C26 40.2(5) . . ?
C23 Fe1 C26 142.0(5) . . ?
C28 Fe1 C20 112.0(5) . . ?
C24 Fe1 C20 140.7(5) . . ?
C19 Fe1 C20 41.4(4) . . ?
C25 Fe1 C20 176.7(5) . . ?
C23 Fe1 C20 68.9(5) . . ?
C26 Fe1 C20 136.9(5) . . ?
C28 Fe1 C22 178.2(5) . . ?
C24 Fe1 C22 136.4(5) . . ?
C19 Fe1 C22 70.2(4) . . ?
C25 Fe1 C22 109.7(5) . . ?
C23 Fe1 C22 41.6(4) . . ?
C26 Fe1 C22 112.3(5) . . ?
C20 Fe1 C22 69.1(5) . . ?
C28 Fe1 C27 40.7(5) . . ?
C24 Fe1 C27 69.6(4) . . ?
C19 Fe1 C27 137.5(5) . . ?
C25 Fe1 C27 67.6(5) . . ?
C23 Fe1 C27 177.9(5) . . ?
C26 Fe1 C27 39.3(5) . . ?
C20 Fe1 C27 111.2(5) . . ?
C22 Fe1 C27 140.5(5) . . ?
C28 Fe1 C21 141.3(5) . . ?
C24 Fe1 C21 176.8(4) . . ?
C19 Fe1 C21 69.5(4) . . ?
C25 Fe1 C21 136.3(5) . . ?
C23 Fe1 C21 68.6(4) . . ?
C26 Fe1 C21 110.9(5) . . ?
C20 Fe1 C21 40.9(4) . . ?
C22 Fe1 C21 40.4(4) . . ?
C27 Fe1 C21 113.0(5) . . ?
C14 Fe2 C9 110.6(4) . . ?
C14 Fe2 C13 108.2(4) . . ?
C9 Fe2 C13 41.9(4) . . ?
C14 Fe2 C18 42.2(4) . . ?
C9 Fe2 C18 109.8(4) . . ?
C13 Fe2 C18 136.9(4) . . ?
C14 Fe2 C15 42.0(4) . . ?
C9 Fe2 C15 140.6(5) . . ?
C13 Fe2 C15 110.2(5) . . ?
C18 Fe2 C15 70.2(5) . . ?
C14 Fe2 C10 142.1(4) . . ?
C9 Fe2 C10 41.0(4) . . ?
C13 Fe2 C10 68.6(5) . . ?
C18 Fe2 C10 113.5(5) . . ?
C15 Fe2 C10 175.8(5) . . ?
C14 Fe2 C11 176.3(5) . . ?
C9 Fe2 C11 69.3(4) . . ?
C13 Fe2 C11 69.2(5) . . ?
C18 Fe2 C11 141.5(5) . . ?
C15 Fe2 C11 135.9(5) . . ?
C10 Fe2 C11 39.9(4) . . ?
C14 Fe2 C12 136.4(5) . . ?
C9 Fe2 C12 69.2(4) . . ?
C13 Fe2 C12 41.3(4) . . ?
C18 Fe2 C12 178.1(5) . . ?
C15 Fe2 C12 109.6(5) . . ?
C10 Fe2 C12 66.8(5) . . ?
C11 Fe2 C12 39.9(5) . . ?
C14 Fe2 C16 69.7(4) . . ?
C9 Fe2 C16 178.1(5) . . ?
C13 Fe2 C16 140.0(5) . . ?
C18 Fe2 C16 69.1(5) . . ?
C15 Fe2 C16 40.8(5) . . ?
C10 Fe2 C16 137.8(5) . . ?
C11 Fe2 C16 110.5(5) . . ?
C12 Fe2 C16 112.0(5) . . ?
C14 Fe2 C17 69.7(4) . . ?
C9 Fe2 C17 137.5(5) . . ?
C13 Fe2 C17 177.6(5) . . ?
C18 Fe2 C17 40.8(4) . . ?
C15 Fe2 C17 68.9(5) . . ?
C10 Fe2 C17 112.4(5) . . ?
C11 Fe2 C17 113.0(5) . . ?
C12 Fe2 C17 141.0(5) . . ?
C16 Fe2 C17 40.6(5) . . ?
C1B P1 C9 105.3(5) . . ?
C1B P1 C1A 105.5(5) . . ?
C9 P1 C1A 103.0(5) . . ?
C1B P1 Pt1 111.6(3) . . ?
C9 P1 Pt1 121.3(3) . . ?
C1A P1 Pt1 108.9(3) . . ?
C14 P2 C1C 106.8(5) . . ?
C14 P2 C1D 102.8(5) . . ?
C1C P2 C1D 105.8(5) . . ?
C14 P2 Pt1 117.9(4) . . ?
C1C P2 Pt1 108.0(3) . . ?
C1D P2 Pt1 114.5(3) . . ?
C19 P3 C1E 104.4(5) . . ?
C19 P3 C1F 103.9(4) . . ?
C1E P3 C1F 105.6(5) . . ?
C19 P3 Pt2 121.9(4) . . ?
C1E P3 Pt2 111.0(3) . . ?
C1F P3 Pt2 108.8(3) . . ?
C24 P4 C1G 105.5(5) . . ?
C24 P4 C1H 101.6(5) . . ?
C1G P4 C1H 106.8(5) . . ?
C24 P4 Pt2 117.0(4) . . ?
C1G P4 Pt2 110.4(4) . . ?
C1H P4 Pt2 114.6(3) . . ?
C4 S1 C1 93.6(5) . . ?
C4 S1 Pt1 108.1(4) . . ?
C1 S1 Pt1 108.1(3) . . ?
C8 S2 C5 92.2(5) . . ?
C8 S2 Pt2 107.1(4) . . ?
C5 S2 Pt2 108.2(3) . . ?
C2 C1 S1 106.5(7) . . ?
C2 C1 Pt2 133.4(8) . . ?
S1 C1 Pt2 119.8(5) . . ?
C1 C2 C3 116.6(10) . . ?
C4 C3 C2 114.1(10) . . ?
C3 C4 S1 109.0(8) . . ?
C6 C5 S2 109.4(8) . . ?
C6 C5 Pt1 132.3(8) . . ?
S2 C5 Pt1 117.9(5) . . ?
C5 C6 C7 114.8(10) . . ?
C8 C7 C6 114.0(11) . . ?
C7 C8 S2 109.4(8) . . ?
C10 C9 C13 106.5(9) . . ?
C10 C9 P1 128.2(9) . . ?
C13 C9 P1 125.1(8) . . ?
C10 C9 Fe2 70.9(6) . . ?
C13 C9 Fe2 69.4(6) . . ?
P1 C9 Fe2 121.6(5) . . ?
C11 C10 C9 110.2(11) . . ?
C11 C10 Fe2 70.4(7) . . ?
C9 C10 Fe2 68.2(6) . . ?
C10 C11 C12 107.3(10) . . ?
C10 C11 Fe2 69.7(6) . . ?
C12 C11 Fe2 70.2(7) . . ?
C11 C12 C13 109.0(10) . . ?
C11 C12 Fe2 69.9(7) . . ?
C13 C12 Fe2 67.8(6) . . ?
C12 C13 C9 106.8(10) . . ?
C12 C13 Fe2 70.9(6) . . ?
C9 C13 Fe2 68.7(6) . . ?
C15 C14 C18 107.8(9) . . ?
C15 C14 P2 127.5(9) . . ?
C18 C14 P2 124.7(8) . . ?
C15 C14 Fe2 70.5(6) . . ?
C18 C14 Fe2 70.3(6) . . ?
P2 C14 Fe2 126.0(5) . . ?
C16 C15 C14 107.9(11) . . ?
C16 C15 Fe2 71.0(7) . . ?
C14 C15 Fe2 67.6(6) . . ?
C15 C16 C17 108.4(11) . . ?
C15 C16 Fe2 68.3(6) . . ?
C17 C16 Fe2 70.0(6) . . ?
C18 C17 C16 108.2(11) . . ?
C18 C17 Fe2 67.9(6) . . ?
C16 C17 Fe2 69.4(7) . . ?
C17 C18 C14 107.7(11) . . ?
C17 C18 Fe2 71.3(7) . . ?
C14 C18 Fe2 67.5(6) . . ?
C23 C19 C20 107.7(10) . . ?
C23 C19 P3 125.3(8) . . ?
C20 C19 P3 126.9(8) . . ?
C23 C19 Fe1 70.4(6) . . ?
C20 C19 Fe1 70.6(6) . . ?
P3 C19 Fe1 121.6(5) . . ?
C19 C20 C21 107.9(10) . . ?
C19 C20 Fe1 68.0(6) . . ?
C21 C20 Fe1 70.1(6) . . ?
C22 C21 C20 109.0(10) . . ?
C22 C21 Fe1 69.6(6) . . ?
C20 C21 Fe1 69.0(6) . . ?
C21 C22 C23 106.8(10) . . ?
C21 C22 Fe1 70.0(6) . . ?
C23 C22 Fe1 68.6(5) . . ?
C19 C23 C22 108.6(10) . . ?
C19 C23 Fe1 68.4(6) . . ?
C22 C23 Fe1 69.8(6) . . ?
C28 C24 C25 105.1(10) . . ?
C28 C24 P4 126.2(9) . . ?
C25 C24 P4 128.6(9) . . ?
C28 C24 Fe1 69.0(6) . . ?
C25 C24 Fe1 69.9(6) . . ?
P4 C24 Fe1 126.1(5) . . ?
C26 C25 C24 107.8(11) . . ?
C26 C25 Fe1 70.2(8) . . ?
C24 C25 Fe1 67.8(6) . . ?
C27 C26 C25 109.8(11) . . ?
C27 C26 Fe1 70.9(7) . . ?
C25 C26 Fe1 69.5(7) . . ?
C26 C27 C28 108.1(11) . . ?
C26 C27 Fe1 69.8(7) . . ?
C28 C27 Fe1 67.6(6) . . ?
C27 C28 C24 109.1(11) . . ?
C27 C28 Fe1 71.7(6) . . ?
C24 C28 Fe1 69.2(6) . . ?
C6A C1A C2A 118.4(9) . . ?
C6A C1A P1 123.6(8) . . ?
C2A C1A P1 117.9(8) . . ?
C3A C2A C1A 120.4(10) . . ?
C4A C3A C2A 120.6(11) . . ?
C3A C4A C5A 119.7(10) . . ?
C6A C5A C4A 119.8(11) . . ?
C1A C6A C5A 121.3(11) . . ?
C6B C1B C2B 118.2(10) . . ?
C6B C1B P1 119.3(8) . . ?
C2B C1B P1 122.5(8) . . ?
C3B C2B C1B 119.4(10) . . ?
C4B C3B C2B 121.4(11) . . ?
C3B C4B C5B 119.2(12) . . ?
C4B C5B C6B 121.1(11) . . ?
C5B C6B C1B 120.6(11) . . ?
C2C C1C C6C 119.5(11) . . ?
C2C C1C P2 120.6(8) . . ?
C6C C1C P2 119.9(8) . . ?
C1C C2C C3C 121.1(11) . . ?
C4C C3C C2C 118.4(13) . . ?
C3C C4C C5C 120.2(12) . . ?
C6C C5C C4C 121.1(12) . . ?
C5C C6C C1C 119.7(12) . . ?
C6D C1D C2D 119.0(10) . . ?
C6D C1D P2 117.7(8) . . ?
C2D C1D P2 123.1(9) . . ?
C3D C2D C1D 120.1(12) . . ?
C4D C3D C2D 120.9(13) . . ?
C5D C4D C3D 119.2(12) . . ?
C4D C5D C6D 120.0(12) . . ?
C1D C6D C5D 120.8(11) . . ?
C2E C1E C6E 118.2(10) . . ?
C2E C1E P3 118.1(8) . . ?
C6E C1E P3 123.6(8) . . ?
C3E C2E C1E 118.3(10) . . ?
C4E C3E C2E 122.4(11) . . ?
C3E C4E C5E 119.6(11) . . ?
C6E C5E C4E 121.3(11) . . ?
C5E C6E C1E 120.2(11) . . ?
C2F C1F C6F 119.3(10) . . ?
C2F C1F P3 122.5(8) . . ?
C6F C1F P3 117.8(8) . . ?
C3F C2F C1F 119.6(11) . . ?
C4F C3F C2F 121.9(12) . . ?
C3F C4F C5F 119.6(11) . . ?
C4F C5F C6F 119.6(11) . . ?
C1F C6F C5F 120.0(11) . . ?
C2G C1G C6G 119.4(10) . . ?
C2G C1G P4 120.6(8) . . ?
C6G C1G P4 120.0(8) . . ?
C1G C2G C3G 120.0(11) . . ?
C4G C3G C2G 120.7(11) . . ?
C3G C4G C5G 120.5(11) . . ?
C4G C5G C6G 120.0(12) . . ?
C1G C6G C5G 119.2(11) . . ?
C6H C1H C2H 119.8(10) . . ?
C6H C1H P4 121.8(8) . . ?
C2H C1H P4 118.3(8) . . ?
C1H C2H C3H 120.2(11) . . ?
C4H C3H C2H 118.9(11) . . ?
C3H C4H C5H 121.2(11) . . ?
C4H C5H C6H 118.8(12) . . ?
C1H C6H C5H 121.0(11) . . ?
O2 S3 O3 118.2(9) . . ?
O2 S3 O1 113.1(10) . . ?
O3 S3 O1 114.0(7) . . ?
O2 S3 C29 102.9(7) . . ?
O3 S3 C29 103.8(7) . . ?
O1 S3 C29 102.0(7) . . ?
F3 C29 F2 110.3(15) . . ?
F3 C29 F1 104.3(13) . . ?
F2 C29 F1 105.1(14) . . ?
F3 C29 S3 112.5(11) . . ?
F2 C29 S3 111.3(10) . . ?
F1 C29 S3 112.9(11) . . ?
O4 S4 O6 119.2(12) . . ?
O4 S4 O5 114.4(14) . . ?
O6 S4 O5 111.9(9) . . ?
O4 S4 C30 103.3(9) . . ?
O6 S4 C30 104.5(7) . . ?
O5 S4 C30 100.6(8) . . ?
F5 C30 F6 111.2(12) . . ?
F5 C30 F4 108.0(12) . . ?
F6 C30 F4 105.0(12) . . ?
F5 C30 S4 113.0(9) . . ?
F6 C30 S4 111.0(10) . . ?
F4 C30 S4 108.1(10) . . ?
Cl1C C1S Cl1A 111.4(9) . . ?
Cl1C C1S Cl1B 109.2(10) . . ?
Cl1A C1S Cl1B 108.3(9) . . ?
Cl2C C2S Cl2A 116.3(12) . . ?
Cl2C C2S Cl2B 103.4(11) . . ?
Cl2A C2S Cl2B 106.3(12) . . ?
Cl3C C3S Cl3B 113.6(11) . . ?
Cl3C C3S Cl3A 112.7(9) . . ?
Cl3B C3S Cl3A 110.4(10) . . ?
Cl4C C4S Cl4B 110.0(9) . . ?
Cl4C C4S Cl4A 110.4(11) . . ?
Cl4B C4S Cl4A 107.6(11) . . ?
Cl6B C6S Cl6A 106.3(8) . . ?
Cl6B C6S Cl6C 106.5(8) . . ?
Cl6A C6S Cl6C 106.0(8) . . ?
Cl62 C6S1 Cl61 106.5(7) . . ?
Cl62 C6S1 Cl63 107.0(8) . . ?
Cl61 C6S1 Cl63 106.3(7) . . ?
Cl5C C5S Cl5A 106.6(8) . . ?
Cl5C C5S Cl5B 105.5(8) . . ?
Cl5A C5S Cl5B 106.4(8) . . ?
Cl53 C5S1 Cl51 106.8(8) . . ?
Cl53 C5S1 Cl5B 108.1(8) . . ?
Cl51 C5S1 Cl5B 104.1(8) . . ?
C5S1 Cl5B C5S 20.3(8) . . ?
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
Pt1 C5 2.067(10) . ?
Pt1 P2 2.277(3) . ?
Pt1 P1 2.350(3) . ?
Pt1 S1 2.396(3) . ?
Pt2 C1 2.011(10) . ?
Pt2 P4 2.259(3) . ?
Pt2 P3 2.343(3) . ?
Pt2 S2 2.400(3) . ?
Fe1 C28 2.002(10) . ?
Fe1 C24 2.004(10) . ?
Fe1 C19 2.008(10) . ?
Fe1 C25 2.032(12) . ?
Fe1 C23 2.035(10) . ?
Fe1 C26 2.041(12) . ?
Fe1 C20 2.043(12) . ?
Fe1 C22 2.052(10) . ?
Fe1 C27 2.055(11) . ?
Fe1 C21 2.058(10) . ?
Fe2 C14 1.987(10) . ?
Fe2 C9 2.010(10) . ?
Fe2 C13 2.019(10) . ?
Fe2 C18 2.025(11) . ?
Fe2 C15 2.026(11) . ?
Fe2 C10 2.046(11) . ?
Fe2 C11 2.055(11) . ?
Fe2 C12 2.060(11) . ?
Fe2 C16 2.061(11) . ?
Fe2 C17 2.069(11) . ?
P1 C1B 1.806(11) . ?
P1 C9 1.808(10) . ?
P1 C1A 1.820(10) . ?
P2 C14 1.791(10) . ?
P2 C1C 1.821(12) . ?
P2 C1D 1.825(11) . ?
P3 C19 1.801(11) . ?
P3 C1E 1.817(11) . ?
P3 C1F 1.838(11) . ?
P4 C24 1.790(11) . ?
P4 C1G 1.819(10) . ?
P4 C1H 1.826(10) . ?
S1 C4 1.763(10) . ?
S1 C1 1.779(10) . ?
S2 C8 1.736(11) . ?
S2 C5 1.779(10) . ?
C1 C2 1.349(14) . ?
C2 C3 1.434(15) . ?
C3 C4 1.334(15) . ?
C5 C6 1.304(14) . ?
C6 C7 1.438(15) . ?
C7 C8 1.348(16) . ?
C9 C10 1.419(15) . ?
C9 C13 1.439(15) . ?
C10 C11 1.400(16) . ?
C11 C12 1.405(18) . ?
C12 C13 1.437(16) . ?
C14 C15 1.438(15) . ?
C14 C18 1.443(15) . ?
C15 C16 1.425(17) . ?
C16 C17 1.433(18) . ?
C17 C18 1.428(16) . ?
C19 C23 1.423(14) . ?
C19 C20 1.433(15) . ?
C20 C21 1.433(16) . ?
C21 C22 1.420(16) . ?
C22 C23 1.451(16) . ?
C24 C28 1.430(16) . ?
C24 C25 1.457(15) . ?
C25 C26 1.401(18) . ?
C26 C27 1.379(19) . ?
C27 C28 1.413(17) . ?
C1A C6A 1.377(15) . ?
C1A C2A 1.425(15) . ?
C2A C3A 1.386(15) . ?
C3A C4A 1.375(17) . ?
C4A C5A 1.408(17) . ?
C5A C6A 1.392(14) . ?
C1B C6B 1.387(14) . ?
C1B C2B 1.406(14) . ?
C2B C3B 1.402(16) . ?
C3B C4B 1.360(17) . ?
C4B C5B 1.371(17) . ?
C5B C6B 1.387(16) . ?
C1C C2C 1.390(15) . ?
C1C C6C 1.402(15) . ?
C2C C3C 1.399(17) . ?
C3C C4C 1.392(18) . ?
C4C C5C 1.397(19) . ?
C5C C6C 1.363(17) . ?
C1D C6D 1.376(15) . ?
C1D C2D 1.394(16) . ?
C2D C3D 1.388(17) . ?
C3D C4D 1.385(19) . ?
C4D C5D 1.381(18) . ?
C5D C6D 1.403(15) . ?
C1E C2E 1.411(14) . ?
C1E C6E 1.412(15) . ?
C2E C3E 1.385(16) . ?
C3E C4E 1.346(17) . ?
C4E C5E 1.366(17) . ?
C5E C6E 1.357(16) . ?
C1F C2F 1.392(15) . ?
C1F C6F 1.395(15) . ?
C2F C3F 1.381(16) . ?
C3F C4F 1.371(17) . ?
C4F C5F 1.380(17) . ?
C5F C6F 1.416(16) . ?
C1G C2G 1.373(14) . ?
C1G C6G 1.390(15) . ?
C2G C3G 1.386(15) . ?
C3G C4G 1.351(17) . ?
C4G C5G 1.363(18) . ?
C5G C6G 1.403(16) . ?
C1H C6H 1.378(15) . ?
C1H C2H 1.383(15) . ?
C2H C3H 1.410(14) . ?
C3H C4H 1.383(17) . ?
C4H C5H 1.387(18) . ?
C5H C6H 1.396(16) . ?
S3 O2 1.400(11) . ?
S3 O3 1.411(11) . ?
S3 O1 1.435(11) . ?
S3 C29 1.805(14) . ?
C29 F3 1.284(17) . ?
C29 F2 1.300(15) . ?
C29 F1 1.321(18) . ?
S4 O4 1.356(16) . ?
S4 O6 1.410(10) . ?
S4 O5 1.476(19) . ?
S4 C30 1.812(15) . ?
C30 F5 1.287(14) . ?
C30 F6 1.307(14) . ?
C30 F4 1.326(15) . ?
C1S Cl1C 1.736(17) . ?
C1S Cl1A 1.758(17) . ?
C1S Cl1B 1.789(18) . ?
C2S Cl2C 1.633(19) . ?
C2S Cl2A 1.663(18) . ?
C2S Cl2B 1.75(2) . ?
C3S Cl3C 1.667(17) . ?
C3S Cl3B 1.700(17) . ?
C3S Cl3A 1.743(18) . ?
C4S Cl4C 1.700(17) . ?
C4S Cl4B 1.726(16) . ?
C4S Cl4A 1.75(2) . ?
C6S Cl6B 1.749(10) . ?
C6S Cl6A 1.749(10) . ?
C6S Cl6C 1.755(10) . ?
C6S1 Cl62 1.738(10) . ?
C6S1 Cl61 1.745(10) . ?
C6S1 Cl63 1.770(10) . ?
C5S Cl5C 1.742(10) . ?
C5S Cl5A 1.752(10) . ?
C5S Cl5B 1.751(10) . ?
C5S1 Cl53 1.738(10) . ?
C5S1 Cl51 1.746(10) . ?
C5S1 Cl5B 1.751(10) . ?
