#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:20:08 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179372 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/69/4326913.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_4326913
loop_
_publ_author_name
'Sankarasekaran Shanmugaraju'
'Sachin A. Joshi'
'Partha Sarathi Mukherjee'
_publ_section_title
;
 Self-Assembly of Metallamacrocycles Using a Dinuclear Organometallic
 Acceptor: Synthesis, Characterization, and Sensing Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11736
_journal_page_last               11745
_journal_paper_doi               10.1021/ic201745y
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C40 H68 I2 P4 Pt2'
_chemical_formula_sum            'C40 H68 I2 O P4 Pt2'
_chemical_formula_weight         1316.79
_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                105.619(9)
_cell_angle_beta                 90.102(9)
_cell_angle_gamma                105.726(9)
_cell_formula_units_Z            4
_cell_length_a                   16.804(3)
_cell_length_b                   17.587(3)
_cell_length_c                   17.973(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4907.9(15)
_computing_cell_refinement       'Bruker kappa apex ccd'
_computing_data_collection       'Bruker kappa apex ccd'
_computing_data_reduction        'Bruker saint'
_computing_molecular_graphics    ortep-III
_computing_publication_material  winGX1.80.05
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 0.731
_diffrn_measured_fraction_theta_max 0.731
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scan'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0018
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16384
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    7.110
_exptl_absorpt_correction_T_max  0.491
_exptl_absorpt_correction_T_min  0.374
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_description       'block shape'
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.367
_refine_diff_density_min         -2.421
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     873
_refine_ls_number_reflns         16384
_refine_ls_number_restraints     327
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0187
_refine_ls_shift/su_max          14.222
_refine_ls_shift/su_mean         0.125
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0470P)²+4.0592P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0693
_reflns_number_gt                16346
_reflns_number_total             16384
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic201745y_si_002.cif
_cod_data_source_block           complex-1a
_cod_database_code               4326913
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
Pt2 Pt 0.478995(8) 0.226032(8) 0.058365(10) 0.05042(6) Uani 1 1 d .
Pt3 Pt 1.366282(9) 0.226607(8) 0.554288(11) 0.05513(6) Uani 1 1 d .
I1 I 0.44547(2) 0.13047(2) 0.15324(2) 0.08383(11) Uani 1 1 d .
I4 I 1.35089(2) 0.13231(2) 0.64925(3) 0.09528(12) Uani 1 1 d .
P3 P 0.61135(5) 0.28699(6) 0.12023(7) 0.0647(3) Uani 1 1 d .
P4 P 0.35380(6) 0.15875(6) -0.01028(7) 0.0638(3) Uani 1 1 d U
P7 P 1.26768(6) 0.28747(6) 0.61440(8) 0.0666(3) Uani 1 1 d U
P8 P 1.45619(7) 0.16258(6) 0.48519(8) 0.0701(3) Uani 1 1 d U
C5 C 1.3810(2) 0.2901(2) 0.4870(3) 0.0667(14) Uani 1 1 d U
C6 C 1.38504(15) 0.32781(15) 0.4454(2) 0.0455(10) Uani 1 1 d U
C9 C 0.50618(14) 0.29131(13) -0.01494(19) 0.0344(7) Uani 1 1 d U
C10 C 0.51603(14) 0.3351(2) -0.0500(3) 0.0651(12) Uani 1 1 d U
C11 C 0.6169(2) 0.3171(2) 0.2203(3) 0.0736(15) Uani 1 1 d U
H11A H 0.5829 0.3542 0.2373 0.088 Uiso 1 1 calc R
H11B H 0.5946 0.2691 0.2386 0.088 Uiso 1 1 calc R
C16 C 1.5172(3) 0.2185(5) 0.4153(3) 0.119(3) Uani 1 1 d U
H16A H 1.5513 0.1860 0.3865 0.142 Uiso 1 1 calc R
H16B H 1.4789 0.2248 0.3786 0.142 Uiso 1 1 calc R
C24 C 1.5515(2) 0.4753(2) 0.7829(2) 0.0524(10) Uani 1 1 d U
C25 C 1.5119(2) 0.3919(2) 0.7579(3) 0.0712(14) Uani 1 1 d U
H25 H 1.4917 0.3677 0.7062 0.085 Uiso 1 1 calc R
C29 C 1.53077(14) 0.38310(16) 0.88781(19) 0.0314(7) Uani 1 1 d U
C30 C 1.5845(3) 0.5120(2) 0.8612(3) 0.0610(11) Uani 1 1 d U
H30 H 1.6141 0.5673 0.8778 0.073 Uiso 1 1 calc R
C31 C 1.5759(2) 0.5280(2) 0.7219(3) 0.0634(13) Uani 1 1 d U
C32 C 1.5790(3) 0.4901(3) 0.6490(3) 0.0799(15) Uani 1 1 d U
H32 H 1.5769 0.4347 0.6321 0.096 Uiso 1 1 calc R
C33 C 1.5790(2) 0.6111(2) 0.7463(3) 0.0598(11) Uani 1 1 d U
H33 H 1.5732 0.6355 0.7979 0.072 Uiso 1 1 calc R
C37 C 1.2760(4) 0.3262(4) 0.7188(4) 0.125(2) Uani 1 1 d U
H37A H 1.2786 0.2812 0.7394 0.150 Uiso 1 1 calc R
H37B H 1.3290 0.3678 0.7339 0.150 Uiso 1 1 calc R
C38 C 1.2122(3) 0.3621(3) 0.7590(3) 0.0856(16) Uani 1 1 d U
H38A H 1.2276 0.3817 0.8138 0.128 Uiso 1 1 calc R
H38B H 1.1596 0.3209 0.7493 0.128 Uiso 1 1 calc R
H38C H 1.2080 0.4071 0.7401 0.128 Uiso 1 1 calc R
C41 C 0.3093(8) 0.1896(6) -0.0893(4) 0.257(8) Uani 1 1 d U
H41A H 0.3436 0.1859 -0.1327 0.309 Uiso 1 1 calc R
H41B H 0.2538 0.1539 -0.1074 0.309 Uiso 1 1 calc R
C43 C 0.2877(6) 0.1652(6) 0.0578(5) 0.146(3) Uani 1 1 d U
H43A H 0.2607 0.1090 0.0581 0.175 Uiso 1 1 calc R
H43B H 0.3214 0.1912 0.1066 0.175 Uiso 1 1 calc R
C48 C 1.4140(2) 0.4591(3) 0.4029(3) 0.0684(13) Uani 1 1 d U
H48 H 1.4200 0.4845 0.4559 0.082 Uiso 1 1 calc R
C49 C 1.39982(16) 0.37993(18) 0.3798(2) 0.0478(9) Uani 1 1 d U
C50 C 1.40987(18) 0.3448(2) 0.3040(2) 0.0497(9) Uani 1 1 d U
H50 H 1.4089 0.2897 0.2877 0.060 Uiso 1 1 calc R
C51 C 1.50223(18) 0.3451(2) 0.8074(2) 0.0492(9) Uani 1 1 d U
H51 H 1.4773 0.2887 0.7898 0.059 Uiso 1 1 calc R
C52 C 1.5987(6) 0.1471(5) 0.5353(5) 0.145(3) Uani 1 1 d U
H52A H 1.6280 0.1456 0.5806 0.218 Uiso 1 1 calc R
H52B H 1.6345 0.1844 0.5111 0.218 Uiso 1 1 calc R
H52C H 1.5818 0.0931 0.4996 0.218 Uiso 1 1 calc R
C53 C 1.3676(7) 0.0529(5) 0.4469(9) 0.292(10) Uani 1 1 d U
H53A H 1.3770 0.0099 0.4672 0.350 Uiso 1 1 calc R
H53B H 1.3114 0.0568 0.4531 0.350 Uiso 1 1 calc R
C54 C 0.2213(11) 0.2056(9) 0.0617(10) 0.296(8) Uani 1 1 d U
H54A H 0.1783 0.1820 0.0907 0.444 Uiso 1 1 calc R
H54B H 0.1988 0.1980 0.0102 0.444 Uiso 1 1 calc R
H54C H 0.2434 0.2634 0.0869 0.444 Uiso 1 1 calc R
C55 C 1.5742(3) 0.3059(4) 0.4625(6) 0.175(4) Uani 1 1 d U
H55A H 1.5979 0.3365 0.4272 0.262 Uiso 1 1 calc R
H55B H 1.6177 0.2992 0.4926 0.262 Uiso 1 1 calc R
H55C H 1.5415 0.3350 0.4964 0.262 Uiso 1 1 calc R
C57 C 0.6583(6) 0.3883(7) 0.0928(5) 0.298(9) Uani 1 1 d U
H57A H 0.7164 0.4094 0.1116 0.358 Uiso 1 1 calc R
H57B H 0.6555 0.3760 0.0367 0.358 Uiso 1 1 calc R
C58 C 0.6647(3) 0.2079(5) 0.0979(5) 0.148(4) Uani 1 1 d U
H58A H 0.7147 0.2288 0.1328 0.178 Uiso 1 1 calc R
H58B H 0.6299 0.1615 0.1130 0.178 Uiso 1 1 calc R
C59 C 0.6880(5) 0.1766(4) 0.0266(6) 0.168(4) Uani 1 1 d U
H59A H 0.7222 0.1417 0.0300 0.252 Uiso 1 1 calc R
H59B H 0.7187 0.2208 0.0072 0.252 Uiso 1 1 calc R
H59C H 0.6396 0.1452 -0.0079 0.252 Uiso 1 1 calc R
C60 C 0.7073(4) 0.3607(3) 0.2568(4) 0.110(2) Uani 1 1 d U
H60A H 0.7068 0.3815 0.3119 0.165 Uiso 1 1 calc R
H60B H 0.7313 0.4055 0.2354 0.165 Uiso 1 1 calc R
H60C H 0.7395 0.3221 0.2456 0.165 Uiso 1 1 calc R
C65 C 1.2002(13) 0.2199(12) 0.6269(11) 0.363(11) Uani 1 1 d U
H65A H 1.2241 0.1892 0.6536 0.436 Uiso 1 1 calc R
H65B H 1.1634 0.2438 0.6612 0.436 Uiso 1 1 calc R
C66 C 1.3637(11) 0.4621(4) 0.6178(7) 0.359(12) Uani 1 1 d U
H66A H 1.3489 0.5129 0.6315 0.538 Uiso 1 1 calc R
H66B H 1.3940 0.4588 0.5723 0.538 Uiso 1 1 calc R
H66C H 1.3975 0.4600 0.6598 0.538 Uiso 1 1 calc R
C68 C 1.3970(13) 0.0483(11) 0.3588(11) 0.348(11) Uani 1 1 d U
H68A H 1.3868 -0.0083 0.3294 0.522 Uiso 1 1 calc R
H68B H 1.4551 0.0758 0.3617 0.522 Uiso 1 1 calc R
H68C H 1.3661 0.0746 0.3340 0.522 Uiso 1 1 calc R
C69 C 1.5719(2) 0.4642(2) 0.9128(3) 0.0616(11) Uani 1 1 d U
H69 H 1.5917 0.4879 0.9646 0.074 Uiso 1 1 calc R
C70 C 1.2953(8) 0.3994(6) 0.6035(5) 0.207(6) Uani 1 1 d U
H70A H 1.2787 0.3911 0.5495 0.248 Uiso 1 1 calc R
H70B H 1.2549 0.4228 0.6326 0.248 Uiso 1 1 calc R
C75 C 0.3525(5) 0.0452(4) -0.0598(5) 0.137(3) Uani 1 1 d U
H75A H 0.3096 0.0078 -0.0404 0.165 Uiso 1 1 calc R
H75B H 0.3412 0.0322 -0.1154 0.165 Uiso 1 1 calc R
C76 C 0.4351(12) 0.0364(10) -0.0417(11) 0.348(10) Uani 1 1 d U
H76A H 0.4381 -0.0174 -0.0697 0.522 Uiso 1 1 calc R
H76B H 0.4432 0.0437 0.0130 0.522 Uiso 1 1 calc R
H76C H 0.4774 0.0773 -0.0566 0.522 Uiso 1 1 calc R
C77 C 0.3071(2) 0.2767(4) -0.0552(5) 0.153(4) Uani 1 1 d U
H77A H 0.3042 0.3016 -0.0961 0.230 Uiso 1 1 calc R
H77B H 0.3564 0.3070 -0.0216 0.230 Uiso 1 1 calc R
H77C H 0.2593 0.2771 -0.0261 0.230 Uiso 1 1 calc R
C80 C 0.6162(7) 0.4546(3) 0.1243(4) 0.194(6) Uani 1 1 d U
H80A H 0.6438 0.5029 0.1092 0.291 Uiso 1 1 calc R
H80B H 0.6188 0.4675 0.1798 0.291 Uiso 1 1 calc R
H80C H 0.5593 0.4355 0.1038 0.291 Uiso 1 1 calc R
C83 C 1.1509(8) 0.1627(8) 0.5590(9) 0.233(6) Uani 1 1 d U
H83A H 1.1240 0.1120 0.5704 0.349 Uiso 1 1 calc R
H83B H 1.1860 0.1525 0.5176 0.349 Uiso 1 1 calc R
H83C H 1.1098 0.1855 0.5437 0.349 Uiso 1 1 calc R
C90 C 1.5209(4) 0.1768(4) 0.5591(4) 0.129(3) Uani 1 1 d U
H90A H 1.5386 0.2349 0.5867 0.155 Uiso 1 1 calc R
H90B H 1.4922 0.1475 0.5944 0.155 Uiso 1 1 calc R
Pt1 Pt 0.980615(8) 0.225692(8) 0.298029(9) 0.05163(6) Uani 1 1 d .
Pt4 Pt 0.863906(8) 0.226540(8) -0.200827(9) 0.05265(6) Uani 1 1 d .
I2 I 0.84877(3) 0.13541(2) -0.34738(2) 0.09370(12) Uani 1 1 d .
I3 I 0.94642(2) 0.12776(2) 0.15432(2) 0.09023(11) Uani 1 1 d .
P1 P 0.95904(8) 0.17887(17) -0.17033(8) 0.1895(14) Uani 1 1 d .
P2 P 0.76417(6) 0.28799(7) -0.22714(8) 0.0708(3) Uani 1 1 d .
P5 P 1.11396(5) 0.28917(6) 0.26984(7) 0.0630(3) Uani 1 1 d .
P6 P 0.86002(4) 0.18529(12) 0.33399(6) 0.1161(7) Uani 1 1 d U
C1 C 1.0080(3) 0.2869(2) 0.3983(3) 0.0828(15) Uani 1 1 d U
C2 C 1.01918(13) 0.33008(16) 0.4662(2) 0.0489(10) Uani 1 1 d U
C3 C 1.02895(12) 0.38285(17) 0.54994(19) 0.0380(8) Uani 1 1 d U
C4 C 1.07023(19) 0.46885(17) 0.5761(2) 0.0586(11) Uani 1 1 d U
H4 H 1.0878 0.4960 0.5387 0.070 Uiso 1 1 calc R
C7 C 0.8648(3) 0.2861(3) -0.0990(3) 0.112(2) Uani 1 1 d U
C8 C 0.88232(16) 0.32514(17) -0.0378(3) 0.0628(14) Uani 1 1 d U
C12 C 1.0127(3) 0.2164(4) -0.0700(3) 0.0966(19) Uani 1 1 d U
H12A H 0.9712 0.2180 -0.0327 0.116 Uiso 1 1 calc R
H12B H 1.0413 0.1772 -0.0634 0.116 Uiso 1 1 calc R
C13 C 0.7644(6) 0.3861(3) -0.1573(4) 0.164(4) Uani 1 1 d U
H13A H 0.7209 0.4050 -0.1755 0.196 Uiso 1 1 calc R
H13B H 0.7491 0.3749 -0.1085 0.196 Uiso 1 1 calc R
C14 C 1.1830(4) 0.2122(4) 0.2433(4) 0.118(3) Uani 1 1 d U
H14A H 1.1619 0.1702 0.1948 0.141 Uiso 1 1 calc R
H14B H 1.2402 0.2410 0.2397 0.141 Uiso 1 1 calc R
C15 C 0.82203(19) 0.2092(4) 0.4308(3) 0.0922(18) Uani 1 1 d U
H15A H 0.7671 0.1739 0.4329 0.111 Uiso 1 1 calc R
H15B H 0.8600 0.2077 0.4707 0.111 Uiso 1 1 calc R
C17 C 0.90281(13) 0.38390(18) 0.0566(2) 0.0382(8) Uani 1 1 d U
C18 C 0.9059(2) 0.34202(18) 0.1150(2) 0.0516(9) Uani 1 1 d U
H18 H 0.8955 0.2852 0.1026 0.062 Uiso 1 1 calc R
C19 C 0.9247(3) 0.3898(3) 0.1879(3) 0.0860(17) Uani 1 1 d U
H19 H 0.9368 0.3678 0.2268 0.103 Uiso 1 1 calc R
C20 C 0.92627(15) 0.47384(16) 0.20626(19) 0.0342(8) Uani 1 1 d U
C21 C 1.0042(2) 0.34595(19) -0.3896(2) 0.0569(11) Uani 1 1 d U
H21 H 0.9791 0.2895 -0.4052 0.068 Uiso 1 1 calc R
C22 C 1.0130(3) 0.3851(2) -0.3055(3) 0.096(2) Uani 1 1 d U
H22 H 0.9967 0.3603 -0.2662 0.115 Uiso 1 1 calc R
C23 C 1.05605(15) 0.4781(2) -0.2973(2) 0.0648(14) Uani 1 1 d U
C26 C 0.9111(3) 0.4610(2) 0.0753(3) 0.0716(13) Uani 1 1 d U
H26 H 0.9048 0.4850 0.0363 0.086 Uiso 1 1 calc R
C27 C 0.9303(3) 0.5134(2) 0.1552(3) 0.0710(13) Uani 1 1 d U
H27 H 0.9442 0.5706 0.1679 0.085 Uiso 1 1 calc R
C28 C 1.0852(2) 0.51208(16) -0.3517(2) 0.0507(10) Uani 1 1 d U
H28 H 1.1164 0.5669 -0.3388 0.061 Uiso 1 1 calc R
C34 C 0.7763(4) 0.3254(3) -0.3120(3) 0.0922(17) Uani 1 1 d U
H34A H 0.8253 0.3723 -0.3012 0.111 Uiso 1 1 calc R
H34B H 0.7878 0.2828 -0.3539 0.111 Uiso 1 1 calc R
C35 C 1.0371(4) 0.1462(3) -0.2331(4) 0.134(3) Uani 1 1 d U
H35A H 1.0617 0.1113 -0.2126 0.161 Uiso 1 1 calc R
H35B H 1.0123 0.1161 -0.2851 0.161 Uiso 1 1 calc R
C45 C 1.1696(3) 0.3787(3) 0.3372(3) 0.0930(17) Uani 1 1 d U
H45A H 1.1763 0.3658 0.3856 0.112 Uiso 1 1 calc R
H45B H 1.2245 0.3955 0.3197 0.112 Uiso 1 1 calc R
C56 C 0.6457(4) 0.1847(7) -0.1833(8) 0.259(7) Uani 1 1 d U
H56A H 0.5969 0.2002 -0.1663 0.389 Uiso 1 1 calc R
H56B H 0.6908 0.2132 -0.1442 0.389 Uiso 1 1 calc R
H56C H 0.6355 0.1264 -0.1922 0.389 Uiso 1 1 calc R
C61 C 1.1751(5) 0.1764(4) 0.3086(5) 0.158(4) Uani 1 1 d U
H61A H 1.2014 0.1329 0.2985 0.238 Uiso 1 1 calc R
H61B H 1.1175 0.1548 0.3151 0.238 Uiso 1 1 calc R
H61C H 1.2014 0.2182 0.3549 0.238 Uiso 1 1 calc R
C62 C 1.1365(4) 0.4477(3) 0.3532(4) 0.163(4) Uani 1 1 d U
H62A H 1.1676 0.4897 0.3972 0.244 Uiso 1 1 calc R
H62B H 1.0795 0.4308 0.3640 0.244 Uiso 1 1 calc R
H62C H 1.1401 0.4689 0.3090 0.244 Uiso 1 1 calc R
C63 C 1.1209(3) 0.3150(4) 0.1783(5) 0.146(3) Uani 1 1 d U
H63A H 1.0991 0.2647 0.1367 0.175 Uiso 1 1 calc R
H63B H 1.0855 0.3503 0.1777 0.175 Uiso 1 1 calc R
C64 C 1.2063(3) 0.3572(3) 0.1613(4) 0.106(2) Uani 1 1 d U
H64A H 1.2033 0.3708 0.1133 0.159 Uiso 1 1 calc R
H64B H 1.2410 0.3212 0.1572 0.159 Uiso 1 1 calc R
H64C H 1.2293 0.4066 0.2024 0.159 Uiso 1 1 calc R
C67 C 0.6659(3) 0.2050(6) -0.2509(5) 0.152(3) Uani 1 1 d U
H67A H 0.6227 0.2237 -0.2699 0.182 Uiso 1 1 calc R
H67B H 0.6726 0.1577 -0.2904 0.182 Uiso 1 1 calc R
C73 C 0.9203(13) 0.0562(11) 0.3670(12) 0.360(11) Uani 1 1 d .
H73A H 0.9070 -0.0023 0.3584 0.540 Uiso 1 1 calc R
H73B H 0.9170 0.0821 0.4208 0.540 Uiso 1 1 calc R
H73C H 0.9755 0.0764 0.3529 0.540 Uiso 1 1 calc R
C78 C 0.7044(6) 0.3515(4) -0.3426(4) 0.158(4) Uani 1 1 d U
H78A H 0.7155 0.3602 -0.3925 0.237 Uiso 1 1 calc R
H78B H 0.6999 0.4016 -0.3071 0.237 Uiso 1 1 calc R
H78C H 0.6533 0.3090 -0.3471 0.237 Uiso 1 1 calc R
C82 C 0.8215(4) 0.3014(5) 0.4342(4) 0.148(3) Uani 1 1 d U
H82A H 0.8021 0.3260 0.4825 0.222 Uiso 1 1 calc R
H82B H 0.7853 0.3000 0.3921 0.222 Uiso 1 1 calc R
H82C H 0.8767 0.3334 0.4300 0.222 Uiso 1 1 calc R
C86 C 1.0747(4) 0.3007(5) -0.0526(5) 0.153(3) Uani 1 1 d U
H86A H 1.0959 0.3181 0.0008 0.230 Uiso 1 1 calc R
H86B H 1.0480 0.3393 -0.0623 0.230 Uiso 1 1 calc R
H86C H 1.1197 0.2982 -0.0852 0.230 Uiso 1 1 calc R
C87 C 0.8854(11) 0.0685(10) -0.1762(12) 0.256(8) Uani 1 1 d DU
H87A H 0.8663 0.0484 -0.2308 0.307 Uiso 1 1 calc R
H87B H 0.9254 0.0393 -0.1707 0.307 Uiso 1 1 calc R
C88 C 0.8274(9) 0.0333(9) -0.1483(11) 0.245(7) Uani 1 1 d DU
H88A H 0.8126 -0.0245 -0.1745 0.367 Uiso 1 1 calc R
H88B H 0.7812 0.0543 -0.1535 0.367 Uiso 1 1 calc R
H88C H 0.8417 0.0417 -0.0943 0.367 Uiso 1 1 calc R
C93 C 1.1016(8) 0.2250(7) -0.2333(8) 0.235(6) Uani 1 1 d U
H93A H 1.1358 0.2141 -0.2753 0.353 Uiso 1 1 calc R
H93B H 1.1354 0.2464 -0.1851 0.353 Uiso 1 1 calc R
H93C H 1.0745 0.2647 -0.2397 0.353 Uiso 1 1 calc R
C94 C 0.8413(5) 0.45466(19) -0.1412(3) 0.137(3) Uani 1 1 d U
H94A H 0.8369 0.4967 -0.0959 0.205 Uiso 1 1 calc R
H94B H 0.8496 0.4771 -0.1847 0.205 Uiso 1 1 calc R
H94C H 0.8875 0.4348 -0.1327 0.205 Uiso 1 1 calc R
C84A C 0.8531(17) 0.0779(15) 0.3132(16) 0.439(13) Uiso 1 1 d U
H84A H 0.8620 0.0575 0.2591 0.526 Uiso 1 1 calc R
H84B H 0.7973 0.0485 0.3209 0.526 Uiso 1 1 calc R
C46 C 0.7628(3) 0.1466(3) 0.2619(3) 0.0882(12) Uiso 1 1 d DU
H46A H 0.7439 0.0892 0.2613 0.106 Uiso 1 1 calc R
H46B H 0.7246 0.1718 0.2930 0.106 Uiso 1 1 calc R
C47 C 0.7316(4) 0.1419(4) 0.1803(4) 0.146(2) Uiso 1 1 d DU
H47A H 0.6733 0.1142 0.1717 0.218 Uiso 1 1 calc R
H47B H 0.7609 0.1121 0.1428 0.218 Uiso 1 1 calc R
H47C H 0.7412 0.1966 0.1752 0.218 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'
I I -0.4742 1.8119 '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'
Pt Pt -1.7033 8.3905 '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
_geom_angle_site_symmetry_3
C9 Pt2 P4 89.17(7) . .
C9 Pt2 P3 90.02(7) . .
P4 Pt2 P3 175.01(4) . .
C9 Pt2 I1 176.71(8) . .
P4 Pt2 I1 90.74(3) . .
P3 Pt2 I1 89.78(3) . .
C5 Pt3 P8 86.66(12) . .
C5 Pt3 P7 90.94(11) . .
P8 Pt3 P7 175.02(4) . .
C5 Pt3 I4 177.39(10) . .
P8 Pt3 I4 90.80(4) . .
P7 Pt3 I4 91.64(3) . .
C11 P3 C58 103.7(3) . .
C11 P3 C57 104.3(3) . .
C58 P3 C57 119.0(5) . .
C11 P3 Pt2 115.77(13) . .
C58 P3 Pt2 106.1(2) . .
C57 P3 Pt2 108.4(3) . .
C43 P4 C41 104.9(5) . .
C43 P4 C75 112.0(4) . .
C41 P4 C75 103.3(4) . .
C43 P4 Pt2 102.7(3) . .
C41 P4 Pt2 125.4(4) . .
C75 P4 Pt2 108.5(3) . .
C65 P7 C37 84.1(8) . .
C65 P7 C70 144.2(9) . .
C37 P7 C70 91.3(3) . .
C65 P7 Pt3 105.8(8) . .
C37 P7 Pt3 119.3(2) . .
C70 P7 Pt3 107.3(2) . .
C90 P8 C16 107.2(3) . .
C90 P8 C53 118.8(4) . .
C16 P8 C53 122.4(5) . .
C90 P8 Pt3 96.5(3) . .
C16 P8 Pt3 114.94(15) . .
C53 P8 Pt3 93.2(4) . .
C6 C5 Pt3 175.9(3) . .
C5 C6 C49 173.7(3) . .
C10 C9 Pt2 170.3(3) . .
C9 C10 C29 169.4(4) . 1_454
C60 C11 P3 112.3(4) . .
C60 C11 H11A 109.2 . .
P3 C11 H11A 109.1 . .
C60 C11 H11B 109.1 . .
P3 C11 H11B 109.1 . .
H11A C11 H11B 107.9 . .
C55 C16 P8 110.0(4) . .
C55 C16 H16A 109.7 . .
P8 C16 H16A 109.7 . .
C55 C16 H16B 109.7 . .
P8 C16 H16B 109.6 . .
H16A C16 H16B 108.2 . .
C25 C24 C30 119.8(3) . .
C25 C24 C31 120.6(4) . .
C30 C24 C31 118.6(4) . .
C51 C25 C24 120.7(4) . .
C51 C25 H25 119.6 . .
C24 C25 H25 119.6 . .
C69 C29 C51 120.4(3) . .
C69 C29 C10 116.7(3) . 1_656
C51 C29 C10 122.8(2) . 1_656
C69 C30 C24 119.2(3) . .
C69 C30 H30 120.4 . .
C24 C30 H30 120.4 . .
C32 C31 C33 121.8(4) . .
C32 C31 C24 119.5(4) . .
C33 C31 C24 117.8(4) . .
C31 C32 C48 114.8(4) . 2_866
C31 C32 H32 122.6 . .
C48 C32 H32 122.6 2_866 .
C50 C33 C31 120.2(4) 2_866 .
C50 C33 H33 119.9 2_866 .
C31 C33 H33 119.9 . .
C38 C37 P7 120.6(4) . .
C38 C37 H37A 107.1 . .
P7 C37 H37A 107.1 . .
C38 C37 H37B 107.2 . .
P7 C37 H37B 107.2 . .
H37A C37 H37B 106.8 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.4 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C77 C41 P4 106.6(4) . .
C77 C41 H41A 110.1 . .
P4 C41 H41A 110.2 . .
C77 C41 H41B 110.7 . .
P4 C41 H41B 110.7 . .
H41A C41 H41B 108.6 . .
C54 C43 P4 125.7(9) . .
C54 C43 H43A 106.1 . .
P4 C43 H43A 106.1 . .
C54 C43 H43B 105.8 . .
P4 C43 H43B 105.7 . .
H43A C43 H43B 106.2 . .
C49 C48 C32 123.7(5) . 2_866
C49 C48 H48 118.2 . .
C32 C48 H48 118.2 2_866 .
C48 C49 C50 117.9(4) . .
C48 C49 C6 118.8(3) . .
C50 C49 C6 122.6(2) . .
C33 C50 C49 120.3(3) 2_866 .
C33 C50 H50 119.8 2_866 .
C49 C50 H50 119.8 . .
C25 C51 C29 119.5(3) . .
C25 C51 H51 120.2 . .
C29 C51 H51 120.3 . .
C90 C52 H52A 109.5 . .
C90 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C90 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C68 C53 P8 88.2(11) . .
C68 C53 H53A 114.4 . .
P8 C53 H53A 113.9 . .
C68 C53 H53B 113.6 . .
P8 C53 H53B 113.9 . .
H53A C53 H53B 111.2 . .
C43 C54 H54A 109.4 . .
C43 C54 H54B 109.4 . .
H54A C54 H54B 109.5 . .
C43 C54 H54C 109.6 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C16 C55 H55A 109.4 . .
C16 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C16 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C80 C57 P3 114.5(7) . .
C80 C57 H57A 108.7 . .
P3 C57 H57A 108.6 . .
C80 C57 H57B 108.6 . .
P3 C57 H57B 108.6 . .
H57A C57 H57B 107.5 . .
C59 C58 P3 124.0(5) . .
C59 C58 H58A 106.3 . .
P3 C58 H58A 106.3 . .
C59 C58 H58B 106.4 . .
P3 C58 H58B 106.3 . .
H58A C58 H58B 106.4 . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C58 C59 H59C 109.4 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C11 C60 H60A 109.4 . .
C11 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C11 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C83 C65 P7 116.8(16) . .
C83 C65 H65A 108.3 . .
P7 C65 H65A 108.1 . .
C83 C65 H65B 108.0 . .
P7 C65 H65B 108.0 . .
H65A C65 H65B 107.2 . .
C70 C66 H66A 109.4 . .
C70 C66 H66B 109.4 . .
H66A C66 H66B 109.5 . .
C70 C66 H66C 109.6 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C53 C68 H68A 109.2 . .
C53 C68 H68B 109.3 . .
H68A C68 H68B 109.5 . .
C53 C68 H68C 109.9 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C29 C69 C30 120.1(4) . .
C29 C69 H69 120.0 . .
C30 C69 H69 120.0 . .
C66 C70 P7 134.5(8) . .
C66 C70 H70A 103.7 . .
P7 C70 H70A 103.5 . .
C66 C70 H70B 103.5 . .
P7 C70 H70B 103.5 . .
H70A C70 H70B 105.3 . .
C76 C75 P4 107.7(9) . .
C76 C75 H75A 110.2 . .
P4 C75 H75A 110.2 . .
C76 C75 H75B 110.3 . .
P4 C75 H75B 110.1 . .
H75A C75 H75B 108.4 . .
C75 C76 H76A 109.2 . .
C75 C76 H76B 109.6 . .
H76A C76 H76B 109.5 . .
C75 C76 H76C 109.6 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C41 C77 H77A 109.7 . .
C41 C77 H77B 109.6 . .
H77A C77 H77B 109.5 . .
C41 C77 H77C 109.1 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C57 C80 H80A 109.3 . .
C57 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C57 C80 H80C 109.6 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C65 C83 H83A 108.9 . .
C65 C83 H83B 109.8 . .
H83A C83 H83B 109.5 . .
C65 C83 H83C 109.7 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C52 C90 P8 113.1(6) . .
C52 C90 H90A 109.0 . .
P8 C90 H90A 108.9 . .
C52 C90 H90B 108.9 . .
P8 C90 H90B 109.0 . .
H90A C90 H90B 107.8 . .
C1 Pt1 P6 85.39(13) . .
C1 Pt1 P5 88.30(12) . .
P6 Pt1 P5 171.68(5) . .
C1 Pt1 I3 175.35(17) . .
P6 Pt1 I3 95.52(3) . .
P5 Pt1 I3 91.21(3) . .
C7 Pt4 P1 90.7(2) . .
C7 Pt4 P2 85.8(2) . .
P1 Pt4 P2 175.71(6) . .
C7 Pt4 I2 175.14(16) . .
P1 Pt4 I2 92.23(3) . .
P2 Pt4 I2 91.47(4) . .
C35 P1 C12 104.2(2) . .
C35 P1 C87 97.9(5) . .
C12 P1 C87 104.4(6) . .
C35 P1 Pt4 126.7(2) . .
C12 P1 Pt4 121.68(13) . .
C87 P1 Pt4 95.7(5) . .
C67 P2 C34 103.9(3) . .
C67 P2 C13 118.0(4) . .
C34 P2 C13 96.8(2) . .
C67 P2 Pt4 105.5(2) . .
C34 P2 Pt4 116.00(17) . .
C13 P2 Pt4 116.3(3) . .
C45 P5 C63 104.4(3) . .
C45 P5 C14 109.4(2) . .
C63 P5 C14 95.3(3) . .
C45 P5 Pt1 117.15(19) . .
C63 P5 Pt1 115.85(13) . .
C14 P5 Pt1 112.4(2) . .
C84A P6 C15 103.2(9) . .
C84A P6 C46 83.8(9) . .
C15 P6 C46 105.71(18) . .
C84A P6 Pt1 98.1(9) . .
C15 P6 Pt1 129.85(12) . .
C46 P6 Pt1 121.45(17) . .
C2 C1 Pt1 173.7(4) . .
C1 C2 C3 177.5(3) . .
C21 C3 C4 114.2(3) 1_556 .
C21 C3 C2 120.4(2) 1_556 .
C4 C3 C2 125.1(3) . .
C28 C4 C3 124.9(4) 1_556 .
C28 C4 H4 117.5 1_556 .
C3 C4 H4 117.5 . .
C8 C7 Pt4 165.9(5) . .
C7 C8 C17 176.5(4) . .
C86 C12 P1 113.9(5) . .
C86 C12 H12A 108.8 . .
P1 C12 H12A 108.8 . .
C86 C12 H12B 108.8 . .
P1 C12 H12B 108.8 . .
H12A C12 H12B 107.6 . .
C94 C13 P2 118.6(5) . .
C94 C13 H13A 107.7 . .
P2 C13 H13A 107.6 . .
C94 C13 H13B 107.7 . .
P2 C13 H13B 107.7 . .
H13A C13 H13B 107.1 . .
C61 C14 P5 102.6(4) . .
C61 C14 H14A 111.3 . .
P5 C14 H14A 111.2 . .
C61 C14 H14B 111.2 . .
P5 C14 H14B 111.2 . .
H14A C14 H14B 109.1 . .
C82 C15 P6 96.0(4) . .
C82 C15 H15A 112.5 . .
P6 C15 H15A 112.5 . .
C82 C15 H15B 112.7 . .
P6 C15 H15B 112.5 . .
H15A C15 H15B 110.1 . .
C26 C17 C18 121.0(4) . .
C26 C17 C8 121.5(3) . .
C18 C17 C8 117.4(2) . .
C19 C18 C17 116.0(3) . .
C19 C18 H18 122.0 . .
C17 C18 H18 122.0 . .
C18 C19 C20 120.2(4) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C27 C20 C19 123.3(4) . .
C27 C20 C23 120.8(3) . 2_765
C19 C20 C23 114.4(3) . 2_765
C3 C21 C22 128.6(3) 1_554 .
C3 C21 H21 115.7 1_554 .
C22 C21 H21 115.7 . .
C21 C22 C23 104.0(5) . .
C21 C22 H22 128.0 . .
C23 C22 H22 128.0 . .
C28 C23 C22 128.1(4) . .
C28 C23 C20 123.1(3) . 2_765
C22 C23 C20 108.1(4) . 2_765
C17 C26 C27 123.0(4) . .
C17 C26 H26 118.5 . .
C27 C26 H26 118.5 . .
C20 C27 C26 114.3(4) . .
C20 C27 H27 122.9 . .
C26 C27 H27 122.9 . .
C4 C28 C23 119.7(3) 1_554 .
C4 C28 H28 120.2 1_554 .
C23 C28 H28 120.2 . .
C78 C34 P2 119.1(5) . .
C78 C34 H34A 107.5 . .
P2 C34 H34A 107.6 . .
C78 C34 H34B 107.5 . .
P2 C34 H34B 107.5 . .
H34A C34 H34B 107.0 . .
C93 C35 P1 105.2(6) . .
C93 C35 H35A 110.9 . .
P1 C35 H35A 110.6 . .
C93 C35 H35B 110.6 . .
P1 C35 H35B 110.7 . .
H35A C35 H35B 108.8 . .
C62 C45 P5 117.8(4) . .
C62 C45 H45A 107.9 . .
P5 C45 H45A 107.9 . .
C62 C45 H45B 107.8 . .
P5 C45 H45B 107.8 . .
H45A C45 H45B 107.2 . .
C67 C56 H56A 109.5 . .
C67 C56 H56B 109.2 . .
H56A C56 H56B 109.5 . .
C67 C56 H56C 109.7 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C14 C61 H61A 109.4 . .
C14 C61 H61B 109.4 . .
H61A C61 H61B 109.5 . .
C14 C61 H61C 109.6 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C45 C62 H62A 109.5 . .
C45 C62 H62B 109.4 . .
H62A C62 H62B 109.5 . .
C45 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C64 C63 P5 115.6(4) . .
C64 C63 H63A 108.4 . .
P5 C63 H63A 108.4 . .
C64 C63 H63B 108.4 . .
P5 C63 H63B 108.4 . .
H63A C63 H63B 107.5 . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.4 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C56 C67 P2 106.2(7) . .
C56 C67 H67A 110.5 . .
P2 C67 H67A 110.4 . .
C56 C67 H67B 110.3 . .
P2 C67 H67B 110.7 . .
H67A C67 H67B 108.7 . .
C84A C73 H73A 109.3 . .
C84A C73 H73B 109.3 . .
H73A C73 H73B 109.5 . .
C84A C73 H73C 109.8 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C34 C78 H78A 109.4 . .
C34 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C34 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C15 C82 H82A 109.5 . .
C15 C82 H82B 109.6 . .
H82A C82 H82B 109.5 . .
C15 C82 H82C 109.4 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C12 C86 H86A 109.4 . .
C12 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C12 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C88 C87 P1 142.9(19) . .
C88 C87 H87A 101.0 . .
P1 C87 H87A 101.3 . .
C88 C87 H87B 101.3 . .
P1 C87 H87B 101.2 . .
H87A C87 H87B 104.6 . .
C87 C88 H88A 109.7 . .
C87 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C87 C88 H88C 109.2 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C35 C93 H93A 109.4 . .
C35 C93 H93B 109.4 . .
H93A C93 H93B 109.5 . .
C35 C93 H93C 109.7 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C13 C94 H94A 109.5 . .
C13 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C13 C94 H94C 109.4 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
P6 C84A C73 114.6(18) . .
P6 C84A H84A 108.3 . .
C73 C84A H84A 108.5 . .
P6 C84A H84B 108.6 . .
C73 C84A H84B 109.0 . .
H84A C84A H84B 107.6 . .
C47 C46 P6 143.5(4) . .
C47 C46 H46A 101.1 . .
P6 C46 H46A 101.0 . .
C47 C46 H46B 100.9 . .
P6 C46 H46B 101.1 . .
H46A C46 H46B 104.5 . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.4 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.6 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt2 C9 1.948(3) .
Pt2 P4 2.2812(11) .
Pt2 P3 2.3214(10) .
Pt2 I1 2.6614(5) .
Pt3 C5 1.830(3) .
Pt3 P8 2.2953(11) .
Pt3 P7 2.3245(12) .
Pt3 I4 2.6502(5) .
P3 C11 1.727(5) .
P3 C58 1.810(7) .
P3 C57 1.937(8) .
P4 C43 1.656(8) .
P4 C41 1.871(6) .
P4 C75 1.950(6) .
P7 C65 1.47(2) .
P7 C37 1.806(7) .
P7 C70 1.960(9) .
P8 C90 1.637(7) .
P8 C16 1.928(6) .
P8 C53 2.034(9) .
C5 C6 1.117(5) .
C6 C49 1.658(5) .
C9 C10 1.100(5) .
C10 C29 1.556(6) 1_454
C11 C60 1.556(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C16 C55 1.579(10) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C24 C25 1.383(5) .
C24 C30 1.420(6) .
C24 C31 1.603(6) .
C25 C51 1.349(5) .
C25 H25 0.9300 .
C29 C69 1.353(4) .
C29 C51 1.438(5) .
C29 C10 1.556(6) 1_656
C30 C69 1.392(5) .
C30 H30 0.9300 .
C31 C32 1.308(6) .
C31 C33 1.394(5) .
C32 C48 1.441(6) 2_866
C32 H32 0.9300 .
C33 C50 1.324(5) 2_866
C33 H33 0.9300 .
C37 C38 1.482(8) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C41 C77 1.499(10) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C43 C54 1.470(16) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C48 C49 1.294(5) .
C48 C32 1.441(6) 2_866
C48 H48 0.9300 .
C49 C50 1.368(5) .
C50 C33 1.324(5) 2_866
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C90 1.556(11) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 C68 1.65(2) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C57 C80 1.508(17) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C59 1.356(11) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C65 C83 1.439(18) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 C70 1.327(19) .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C69 H69 0.9300 .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
C75 C76 1.482(18) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C83 H83A 0.9600 .
C83 H83B 0.9600 .
C83 H83C 0.9600 .
C90 H90A 0.9700 .
C90 H90B 0.9700 .
Pt1 C1 1.818(5) .
Pt1 P6 2.1214(11) .
Pt1 P5 2.3402(10) .
Pt1 I3 2.6515(6) .
Pt4 C7 1.846(6) .
Pt4 P1 2.1283(15) .
Pt4 P2 2.3356(11) .
Pt4 I2 2.6598(6) .
P1 C35 1.840(9) .
P1 C12 1.879(5) .
P1 C87 1.975(15) .
P2 C67 1.843(7) .
P2 C34 1.808(5) .
P2 C13 1.839(4) .
P5 C45 1.729(3) .
P5 C63 1.817(6) .
P5 C14 1.978(6) .
P6 C84A 1.80(2) .
P6 C15 1.835(5) .
P6 C46 1.930(5) .
C1 C2 1.234(6) .
C2 C3 1.523(5) .
C3 C21 1.418(5) 1_556
C3 C4 1.427(4) .
C4 C28 1.300(5) 1_556
C4 H4 0.9300 .
C7 C8 1.118(7) .
C8 C17 1.711(6) .
C12 C86 1.515(9) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C94 1.475(11) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C61 1.463(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C82 1.610(9) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C17 C26 1.274(4) .
C17 C18 1.443(5) .
C18 C19 1.337(5) .
C18 H18 0.9300 .
C19 C20 1.418(5) .
C19 H19 0.9300 .
C20 C27 1.285(5) .
C20 C23 1.612(5) 2_765
C21 C3 1.418(5) 1_554
C21 C22 1.472(6) .
C21 H21 0.9300 .
C22 C23 1.565(6) .
C22 H22 0.9300 .
C23 C28 1.308(6) .
C23 C20 1.612(5) 2_765
C26 C27 1.464(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C4 1.300(5) 1_554
C28 H28 0.9300 .
C34 C78 1.553(8) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C93 1.511(12) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C45 C62 1.429(9) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C56 C67 1.374(11) .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 C64 1.500(6) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C73 C84A 1.67(3) .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
C86 H86A 0.9600 .
C86 H86B 0.9600 .
C86 H86C 0.9600 .
C87 C88 1.194(16) .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C88 H88A 0.9600 .
C88 H88B 0.9600 .
C88 H88C 0.9600 .
C93 H93A 0.9600 .
C93 H93B 0.9600 .
C93 H93C 0.9600 .
C94 H94A 0.9600 .
C94 H94B 0.9600 .
C94 H94C 0.9600 .
C84A H84A 0.9700 .
C84A H84B 0.9700 .
C46 C47 1.531(8) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
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
C9 Pt2 P3 C11 136.09(16) . .
P4 Pt2 P3 C11 -143.3(5) . .
I1 Pt2 P3 C11 -47.19(13) . .
C9 Pt2 P3 C58 -109.5(2) . .
P4 Pt2 P3 C58 -28.9(6) . .
I1 Pt2 P3 C58 67.2(2) . .
C9 Pt2 P3 C57 19.4(4) . .
P4 Pt2 P3 C57 100.0(7) . .
I1 Pt2 P3 C57 -163.9(4) . .
C9 Pt2 P4 C43 -129.7(3) . .
P3 Pt2 P4 C43 149.6(6) . .
I1 Pt2 P4 C43 53.6(3) . .
C9 Pt2 P4 C41 -10.8(3) . .
P3 Pt2 P4 C41 -91.5(6) . .
I1 Pt2 P4 C41 172.5(3) . .
C9 Pt2 P4 C75 111.6(3) . .
P3 Pt2 P4 C75 30.9(6) . .
I1 Pt2 P4 C75 -65.1(3) . .
C5 Pt3 P7 C65 137.2(9) . .
P8 Pt3 P7 C65 76.1(10) . .
I4 Pt3 P7 C65 -43.2(9) . .
C5 Pt3 P7 C37 -130.7(3) . .
P8 Pt3 P7 C37 168.2(5) . .
I4 Pt3 P7 C37 48.9(3) . .
C5 Pt3 P7 C70 -28.9(4) . .
P8 Pt3 P7 C70 -90.0(6) . .
I4 Pt3 P7 C70 150.7(3) . .
C5 Pt3 P8 C90 125.9(2) . .
P7 Pt3 P8 C90 -172.9(4) . .
I4 Pt3 P8 C90 -53.53(19) . .
C5 Pt3 P8 C16 13.5(3) . .
P7 Pt3 P8 C16 74.7(5) . .
I4 Pt3 P8 C16 -166.0(2) . .
C5 Pt3 P8 C53 -114.7(4) . .
P7 Pt3 P8 C53 -53.4(6) . .
I4 Pt3 P8 C53 65.9(4) . .
P8 Pt3 C5 C6 130(6) . .
P7 Pt3 C5 C6 -46(6) . .
I4 Pt3 C5 C6 143(3) . .
Pt3 C5 C6 C49 -142(4) . .
P4 Pt2 C9 C10 86.2(14) . .
P3 Pt2 C9 C10 -98.7(14) . .
I1 Pt2 C9 C10 174.7(7) . .
Pt2 C9 C10 C29 -153.8(11) . 1_454
C58 P3 C11 C60 66.8(3) . .
C57 P3 C11 C60 -58.4(5) . .
Pt2 P3 C11 C60 -177.5(2) . .
C90 P8 C16 C55 -43.5(5) . .
C53 P8 C16 C55 174.0(3) . .
Pt3 P8 C16 C55 62.5(3) . .
C30 C24 C25 C51 1.7(5) . .
C31 C24 C25 C51 170.2(3) . .
C25 C24 C30 C69 -3.9(5) . .
C31 C24 C30 C69 -172.6(3) . .
C25 C24 C31 C32 -18.3(6) . .
C30 C24 C31 C32 150.4(4) . .
C25 C24 C31 C33 150.9(4) . .
C30 C24 C31 C33 -40.5(5) . .
C33 C31 C32 C48 0.1(7) . 2_866
C24 C31 C32 C48 168.9(4) . 2_866
C32 C31 C33 C50 -4.0(7) . 2_866
C24 C31 C33 C50 -172.9(3) . 2_866
C65 P7 C37 C38 -72.6(10) . .
C70 P7 C37 C38 71.8(6) . .
Pt3 P7 C37 C38 -177.4(4) . .
C43 P4 C41 C77 61.8(9) . .
C75 P4 C41 C77 179.3(7) . .
Pt2 P4 C41 C77 -56.1(9) . .
C41 P4 C43 C54 -13.3(13) . .
C75 P4 C43 C54 -124.7(12) . .
Pt2 P4 C43 C54 119.1(11) . .
C32 C48 C49 C50 14.7(6) 2_866 .
C32 C48 C49 C6 -174.7(4) 2_866 .
C5 C6 C49 C48 -123(3) . .
C5 C6 C49 C50 47(3) . .
C48 C49 C50 C33 -10.2(5) . 2_866
C6 C49 C50 C33 179.6(3) . 2_866
C24 C25 C51 C29 2.3(5) . .
C69 C29 C51 C25 -4.3(4) . .
C10 C29 C51 C25 175.2(3) 1_656 .
C90 P8 C53 C68 -129.5(8) . .
C16 P8 C53 C68 9.0(8) . .
Pt3 P8 C53 C68 131.3(7) . .
C11 P3 C57 C80 -56.6(5) . .
C58 P3 C57 C80 -171.4(5) . .
Pt2 P3 C57 C80 67.3(5) . .
C11 P3 C58 C59 -168.1(7) . .
C57 P3 C58 C59 -53.0(8) . .
Pt2 P3 C58 C59 69.5(7) . .
C37 P7 C65 C83 171.6(18) . .
C70 P7 C65 C83 87.4(19) . .
Pt3 P7 C65 C83 -69.6(19) . .
C51 C29 C69 C30 2.1(5) . .
C10 C29 C69 C30 -177.4(3) 1_656 .
C24 C30 C69 C29 1.9(5) . .
C65 P7 C70 C66 152.3(16) . .
C37 P7 C70 C66 70.5(11) . .
Pt3 P7 C70 C66 -50.9(11) . .
C43 P4 C75 C76 -115.4(10) . .
C41 P4 C75 C76 132.2(11) . .
Pt2 P4 C75 C76 -2.8(11) . .
C16 P8 C90 C52 -56.5(5) . .
C53 P8 C90 C52 87.6(7) . .
Pt3 P8 C90 C52 -175.2(4) . .
C7 Pt4 P1 C35 -151.5(3) . .
P2 Pt4 P1 C35 -117.3(9) . .
I2 Pt4 P1 C35 32.4(2) . .
C7 Pt4 P1 C12 -6.6(3) . .
P2 Pt4 P1 C12 27.6(12) . .
I2 Pt4 P1 C12 177.3(3) . .
C7 Pt4 P1 C87 104.2(6) . .
P2 Pt4 P1 C87 138.4(11) . .
I2 Pt4 P1 C87 -71.9(6) . .
C7 Pt4 P2 C67 -109.3(3) . .
P1 Pt4 P2 C67 -143.7(10) . .
I2 Pt4 P2 C67 66.6(3) . .
C7 Pt4 P2 C34 136.3(3) . .
P1 Pt4 P2 C34 102.0(10) . .
I2 Pt4 P2 C34 -47.7(2) . .
C7 Pt4 P2 C13 23.5(3) . .
P1 Pt4 P2 C13 -10.8(11) . .
I2 Pt4 P2 C13 -160.5(2) . .
C1 Pt1 P5 C45 -16.7(3) . .
P6 Pt1 P5 C45 23.9(4) . .
I3 Pt1 P5 C45 167.9(2) . .
C1 Pt1 P5 C63 -140.7(3) . .
P6 Pt1 P5 C63 -100.0(5) . .
I3 Pt1 P5 C63 43.9(3) . .
C1 Pt1 P5 C14 111.2(2) . .
P6 Pt1 P5 C14 151.8(4) . .
I3 Pt1 P5 C14 -64.19(18) . .
C1 Pt1 P6 C84A -117.8(9) . .
P5 Pt1 P6 C84A -158.6(9) . .
I3 Pt1 P6 C84A 57.6(9) . .
C1 Pt1 P6 C15 -3.0(3) . .
P5 Pt1 P6 C15 -43.8(5) . .
I3 Pt1 P6 C15 172.4(3) . .
C1 Pt1 P6 C46 154.5(2) . .
P5 Pt1 P6 C46 113.7(3) . .
I3 Pt1 P6 C46 -30.1(2) . .
P6 Pt1 C1 C2 -40(3) . .
P5 Pt1 C1 C2 134(3) . .
I3 Pt1 C1 C2 -142(2) . .
Pt1 C1 C2 C3 19(10) . .
C1 C2 C3 C21 74(8) . 1_556
C1 C2 C3 C4 -113(8) . .
C21 C3 C4 C28 0.0(5) 1_556 1_556
C2 C3 C4 C28 -173.3(3) . 1_556
P1 Pt4 C7 C8 42(2) . .
P2 Pt4 C7 C8 -136(2) . .
I2 Pt4 C7 C8 168.1(7) . .
Pt4 C7 C8 C17 -177(100) . .
C35 P1 C12 C86 76.6(4) . .
C87 P1 C12 C86 178.8(6) . .
Pt4 P1 C12 C86 -75.0(3) . .
C67 P2 C13 C94 -176.4(5) . .
C34 P2 C13 C94 -66.8(5) . .
Pt4 P2 C13 C94 56.7(5) . .
C45 P5 C14 C61 79.8(6) . .
C63 P5 C14 C61 -172.9(5) . .
Pt1 P5 C14 C61 -52.1(5) . .
C84A P6 C15 C82 -173.1(9) . .
C46 P6 C15 C82 -85.9(3) . .
Pt1 P6 C15 C82 74.3(3) . .
C7 C8 C17 C26 -91(6) . .
C7 C8 C17 C18 86(6) . .
C26 C17 C18 C19 -5.3(5) . .
C8 C17 C18 C19 177.9(3) . .
C17 C18 C19 C20 10.8(6) . .
C18 C19 C20 C27 -17.4(7) . .
C18 C19 C20 C23 176.1(4) . 2_765
C3 C21 C22 C23 0.2(5) 1_554 .
C21 C22 C23 C28 -6.2(5) . .
C21 C22 C23 C20 -176.6(3) . 2_765
C18 C17 C26 C27 4.6(6) . .
C8 C17 C26 C27 -178.7(3) . .
C19 C20 C27 C26 15.5(6) . .
C23 C20 C27 C26 -178.9(3) 2_765 .
C17 C26 C27 C20 -9.5(6) . .
C22 C23 C28 C4 9.0(6) . 1_554
C20 C23 C28 C4 178.2(3) 2_765 1_554
C67 P2 C34 C78 53.1(5) . .
C13 P2 C34 C78 -67.9(6) . .
Pt4 P2 C34 C78 168.4(4) . .
C12 P1 C35 C93 -71.2(7) . .
C87 P1 C35 C93 -178.3(9) . .
Pt4 P1 C35 C93 78.5(7) . .
C63 P5 C45 C62 67.7(5) . .
C14 P5 C45 C62 168.8(5) . .
Pt1 P5 C45 C62 -61.9(5) . .
C45 P5 C63 C64 48.5(6) . .
C14 P5 C63 C64 -63.2(6) . .
Pt1 P5 C63 C64 178.8(4) . .
C34 P2 C67 C56 -169.1(5) . .
C13 P2 C67 C56 -63.5(6) . .
Pt4 P2 C67 C56 68.4(6) . .
C35 P1 C87 C88 170(3) . .
C12 P1 C87 C88 63(3) . .
Pt4 P1 C87 C88 -62(3) . .
C15 P6 C84A C73 -69.1(18) . .
C46 P6 C84A C73 -173.8(18) . .
Pt1 P6 C84A C73 65.2(17) . .
C84A P6 C46 C47 -107.9(11) . .
C15 P6 C46 C47 150.0(7) . .
Pt1 P6 C46 C47 -12.2(7) . .
