#------------------------------------------------------------------------------
#$Date: 2018-08-11 19:30:11 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/09/7000902.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_7000902
loop_
_publ_author_name
'Moxey, Graeme J.'
'Jones, Cameron'
'Stasch, Andreas'
'Junk, Peter C.'
'Deacon, Glen B.'
'Woodul, William D.'
'Drago, Penny R.'
_publ_section_title
;
 Complexes of four-membered group 13 metal(I) N-heterocyclic carbene
 analogues with platinum(II) fragments
;
_journal_coden_ASTM              DTARAF
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              2630
_journal_page_last               2636
_journal_paper_doi               10.1039/b821984b
_journal_year                    2009
_chemical_formula_sum            'C102 H150 In2 N6 Pt3'
_chemical_formula_weight         2275.19
_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                109.15(3)
_cell_angle_beta                 95.51(3)
_cell_angle_gamma                105.46(3)
_cell_formula_units_Z            2
_cell_length_a                   13.031(3)
_cell_length_b                   17.146(3)
_cell_length_c                   23.461(5)
_cell_measurement_temperature    150(2)
_cell_volume                     4675(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            39251
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    5.008
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav, Blessing (1995)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.214
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         22428
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0115P)²+16.1221P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                18962
_reflns_number_total             22428
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B821984B.txt
_cod_data_source_block           compound13
_cod_original_cell_volume        4674.3(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000902
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 0.98185(2) 0.316208(15) 0.299163(11) 0.01621(5) Uani 0.95 1 d P A 1
In1 In 1.06802(4) 0.34841(3) 0.20719(2) 0.01501(10) Uani 0.95 1 d P A 1
N1 N 1.2151(3) 0.3923(2) 0.16784(16) 0.0154(7) Uani 1 1 d . . .
C1 C 1.1999(3) 0.4675(3) 0.17057(19) 0.0161(8) Uani 1 1 d . A .
Pt2 Pt 1.03637(2) 0.19199(2) 0.217157(15) 0.01587(6) Uani 0.95 1 d P A 1
In2 In 0.87652(4) 0.14773(3) 0.27691(2) 0.01567(10) Uani 0.95 1 d P A 1
N2 N 1.1129(3) 0.4774(2) 0.19642(17) 0.0173(7) Uani 1 1 d . . .
C2 C 1.2690(3) 0.3406(3) 0.1294(2) 0.0174(8) Uani 1 1 d . A .
Pt3 Pt 0.856152(14) 0.223837(11) 0.188887(8) 0.01788(4) Uani 0.95 1 d P A 1
N3 N 1.2621(3) 0.5272(2) 0.14941(16) 0.0158(7) Uani 1 1 d . . .
C3 C 1.2263(3) 0.2968(3) 0.0660(2) 0.0205(9) Uani 1 1 d . . .
N4 N 0.8432(3) 0.0205(2) 0.29260(16) 0.0172(7) Uani 1 1 d . . .
C4 C 1.2710(4) 0.2357(3) 0.0320(2) 0.0289(11) Uani 1 1 d . A .
H4 H 1.2431 0.2056 -0.0109 0.035 Uiso 1 1 calc R . .
N5 N 0.7525(3) 0.1121(2) 0.33056(16) 0.0156(7) Uani 1 1 d . . .
C5 C 1.3564(4) 0.2186(3) 0.0606(3) 0.0341(12) Uani 1 1 d . . .
H5 H 1.3843 0.1750 0.0374 0.041 Uiso 1 1 calc R A .
N6 N 0.7018(3) -0.0244(2) 0.34609(16) 0.0171(7) Uani 1 1 d . . .
C6 C 1.4009(4) 0.2645(3) 0.1224(2) 0.0305(11) Uani 1 1 d . A .
H6 H 1.4607 0.2534 0.1410 0.037 Uiso 1 1 calc R . .
C7 C 1.3594(3) 0.3267(3) 0.1579(2) 0.0217(9) Uani 1 1 d . . .
C8 C 1.1320(4) 0.3155(3) 0.0352(2) 0.0231(9) Uani 1 1 d . A .
H8 H 1.1368 0.3772 0.0584 0.028 Uiso 1 1 calc R . .
C9 C 1.1327(4) 0.3039(3) -0.0322(2) 0.0336(11) Uani 1 1 d . . .
H9A H 1.1217 0.2426 -0.0565 0.050 Uiso 1 1 calc R A .
H9B H 1.2028 0.3399 -0.0352 0.050 Uiso 1 1 calc R . .
H9C H 1.0742 0.3218 -0.0481 0.050 Uiso 1 1 calc R . .
C10 C 1.0237(4) 0.2566(3) 0.0385(2) 0.0316(11) Uani 1 1 d . . .
H10A H 1.0155 0.1959 0.0142 0.047 Uiso 1 1 calc R A .
H10B H 0.9640 0.2728 0.0220 0.047 Uiso 1 1 calc R . .
H10C H 1.0220 0.2633 0.0815 0.047 Uiso 1 1 calc R . .
C11 C 1.4094(4) 0.3790(3) 0.2260(2) 0.0265(10) Uani 1 1 d . A .
H11 H 1.3862 0.4323 0.2378 0.032 Uiso 1 1 calc R . .
C12 C 1.5334(4) 0.4100(3) 0.2385(3) 0.0385(13) Uani 1 1 d . . .
H12A H 1.5596 0.3596 0.2299 0.058 Uiso 1 1 calc R A .
H12B H 1.5616 0.4485 0.2818 0.058 Uiso 1 1 calc R . .
H12C H 1.5585 0.4416 0.2119 0.058 Uiso 1 1 calc R . .
C13 C 1.3669(4) 0.3294(4) 0.2669(3) 0.0361(12) Uani 1 1 d . . .
H13A H 1.3860 0.2755 0.2558 0.054 Uiso 1 1 calc R A .
H13B H 1.2876 0.3152 0.2609 0.054 Uiso 1 1 calc R . .
H13C H 1.3997 0.3656 0.3102 0.054 Uiso 1 1 calc R . .
C14 C 1.1023(4) 0.5565(3) 0.2361(2) 0.0192(9) Uani 1 1 d . A .
C15 C 1.0007(4) 0.5699(3) 0.2258(2) 0.0239(10) Uani 1 1 d . . .
C16 C 0.9882(4) 0.6473(3) 0.2641(2) 0.0309(11) Uani 1 1 d . A .
H16 H 0.9211 0.6581 0.2571 0.037 Uiso 1 1 calc R . .
C17 C 1.0701(5) 0.7081(3) 0.3115(2) 0.0333(12) Uani 1 1 d . . .
H17 H 1.0610 0.7615 0.3355 0.040 Uiso 1 1 calc R A .
C18 C 1.1664(4) 0.6912(3) 0.3243(2) 0.0313(11) Uani 1 1 d . A .
H18 H 1.2209 0.7318 0.3589 0.038 Uiso 1 1 calc R . .
C19 C 1.1848(4) 0.6156(3) 0.2874(2) 0.0215(9) Uani 1 1 d . . .
C20 C 0.9063(4) 0.5018(3) 0.1765(2) 0.0307(11) Uani 1 1 d . A .
H20 H 0.9163 0.4440 0.1706 0.037 Uiso 1 1 calc R . .
C21 C 0.7960(4) 0.4977(4) 0.1941(3) 0.0471(15) Uani 1 1 d . . .
H21A H 0.7776 0.5492 0.1933 0.071 Uiso 1 1 calc R A .
H21B H 0.7990 0.4963 0.2356 0.071 Uiso 1 1 calc R . .
H21C H 0.7405 0.4452 0.1647 0.071 Uiso 1 1 calc R . .
C22 C 0.9028(5) 0.5118(4) 0.1149(3) 0.0544(17) Uani 1 1 d . . .
H22A H 0.8381 0.4679 0.0856 0.082 Uiso 1 1 calc R A .
H22B H 0.9681 0.5040 0.0995 0.082 Uiso 1 1 calc R . .
H22C H 0.9000 0.5701 0.1195 0.082 Uiso 1 1 calc R . .
C23 C 1.2897(4) 0.5972(3) 0.3044(2) 0.0246(10) Uani 1 1 d . A .
H23 H 1.3089 0.5652 0.2651 0.030 Uiso 1 1 calc R . .
C24 C 1.3868(4) 0.6781(3) 0.3396(3) 0.0391(13) Uani 1 1 d . . .
H24A H 1.3967 0.7175 0.3168 0.059 Uiso 1 1 calc R A .
H24B H 1.4524 0.6612 0.3442 0.059 Uiso 1 1 calc R . .
H24C H 1.3739 0.7078 0.3804 0.059 Uiso 1 1 calc R . .
C25 C 1.2735(4) 0.5380(3) 0.3418(2) 0.0311(11) Uani 1 1 d . . .
H25A H 1.2564 0.5681 0.3812 0.047 Uiso 1 1 calc R A .
H25B H 1.3402 0.5237 0.3493 0.047 Uiso 1 1 calc R . .
H25C H 1.2134 0.4843 0.3187 0.047 Uiso 1 1 calc R . .
C26 C 1.3733(3) 0.5257(3) 0.1407(2) 0.0199(9) Uani 1 1 d . A .
H26 H 1.3907 0.4869 0.1614 0.024 Uiso 1 1 calc R . .
C27 C 1.4619(4) 0.6140(3) 0.1729(2) 0.0244(10) Uani 1 1 d . . .
H27A H 1.4529 0.6541 0.1520 0.029 Uiso 1 1 calc R A .
H27B H 1.4548 0.6396 0.2162 0.029 Uiso 1 1 calc R . .
C28 C 1.5748(4) 0.6037(3) 0.1715(2) 0.0286(10) Uani 1 1 d . A .
H28A H 1.5864 0.5685 0.1960 0.034 Uiso 1 1 calc R . .
H28B H 1.6306 0.6618 0.1906 0.034 Uiso 1 1 calc R . .
C29 C 1.5888(4) 0.5597(3) 0.1057(2) 0.0322(11) Uani 1 1 d . . .
H29A H 1.5878 0.5987 0.0826 0.039 Uiso 1 1 calc R A .
H29B H 1.6599 0.5492 0.1069 0.039 Uiso 1 1 calc R . .
C30 C 1.4980(4) 0.4736(3) 0.0728(2) 0.0287(11) Uani 1 1 d . A .
H30A H 1.5041 0.4324 0.0933 0.034 Uiso 1 1 calc R . .
H30B H 1.5056 0.4480 0.0296 0.034 Uiso 1 1 calc R . .
C31 C 1.3870(3) 0.4867(3) 0.0738(2) 0.0218(9) Uani 1 1 d . . .
H31A H 1.3292 0.4302 0.0519 0.026 Uiso 1 1 calc R A .
H31B H 1.3798 0.5264 0.0521 0.026 Uiso 1 1 calc R . .
C32 C 1.2141(4) 0.5899(3) 0.1342(2) 0.0212(9) Uani 1 1 d . A .
H32 H 1.1366 0.5722 0.1386 0.025 Uiso 1 1 calc R . .
C33 C 1.2105(4) 0.5845(3) 0.0679(2) 0.0280(10) Uani 1 1 d . . .
H33A H 1.1799 0.5230 0.0395 0.034 Uiso 1 1 calc R A .
H33B H 1.2851 0.6079 0.0620 0.034 Uiso 1 1 calc R . .
C34 C 1.1401(5) 0.6371(3) 0.0529(2) 0.0363(12) Uani 1 1 d . A .
H34A H 1.1410 0.6353 0.0104 0.044 Uiso 1 1 calc R . .
H34B H 1.0640 0.6103 0.0552 0.044 Uiso 1 1 calc R . .
C35 C 1.1819(4) 0.7319(3) 0.0979(2) 0.0340(12) Uani 1 1 d . . .
H35A H 1.2543 0.7607 0.0918 0.041 Uiso 1 1 calc R A .
H35B H 1.1319 0.7629 0.0893 0.041 Uiso 1 1 calc R . .
C36 C 1.1904(4) 0.7378(3) 0.1643(2) 0.0302(11) Uani 1 1 d . A .
H36A H 1.1171 0.7139 0.1718 0.036 Uiso 1 1 calc R . .
H36B H 1.2211 0.7995 0.1924 0.036 Uiso 1 1 calc R . .
C37 C 1.2641(4) 0.6860(3) 0.1776(2) 0.0239(10) Uani 1 1 d . . .
H37A H 1.3378 0.7103 0.1709 0.029 Uiso 1 1 calc R A .
H37B H 1.2703 0.6905 0.2211 0.029 Uiso 1 1 calc R . .
C38 C 0.7641(3) 0.0335(2) 0.32433(19) 0.0156(8) Uani 1 1 d . A .
C39 C 0.8501(3) -0.0616(3) 0.25471(19) 0.0180(8) Uani 1 1 d . A .
C40 C 0.7676(4) -0.1186(3) 0.2038(2) 0.0218(9) Uani 1 1 d . . .
C41 C 0.7802(4) -0.1975(3) 0.1692(2) 0.0290(11) Uani 1 1 d . A .
H41 H 0.7251 -0.2372 0.1347 0.035 Uiso 1 1 calc R . .
C42 C 0.8717(5) -0.2195(3) 0.1843(2) 0.0332(12) Uani 1 1 d . . .
H42 H 0.8765 -0.2753 0.1619 0.040 Uiso 1 1 calc R A .
C43 C 0.9550(4) -0.1602(3) 0.2316(2) 0.0292(11) Uani 1 1 d . A .
H43 H 1.0186 -0.1748 0.2404 0.035 Uiso 1 1 calc R . .
C44 C 0.9489(4) -0.0792(3) 0.2671(2) 0.0222(9) Uani 1 1 d . . .
C45 C 0.6704(4) -0.0936(3) 0.1839(2) 0.0255(10) Uani 1 1 d . A .
H45 H 0.6582 -0.0503 0.2210 0.031 Uiso 1 1 calc R . .
C46 C 0.6951(4) -0.0499(3) 0.1368(3) 0.0363(12) Uani 1 1 d . . .
H46A H 0.7051 -0.0918 0.0995 0.054 Uiso 1 1 calc R A .
H46B H 0.7617 0.0001 0.1546 0.054 Uiso 1 1 calc R . .
H46C H 0.6344 -0.0301 0.1265 0.054 Uiso 1 1 calc R . .
C47 C 0.5658(4) -0.1701(3) 0.1562(3) 0.0404(13) Uani 1 1 d . . .
H47A H 0.5719 -0.2091 0.1164 0.061 Uiso 1 1 calc R A .
H47B H 0.5046 -0.1485 0.1504 0.061 Uiso 1 1 calc R . .
H47C H 0.5534 -0.2020 0.1841 0.061 Uiso 1 1 calc R . .
C48 C 1.0471(4) -0.0107(3) 0.3142(2) 0.0276(10) Uani 1 1 d . A .
H48 H 1.0469 0.0469 0.3128 0.033 Uiso 1 1 calc R . .
C49 C 1.1546(4) -0.0230(4) 0.2984(3) 0.0396(13) Uani 1 1 d . . .
H49A H 1.2153 0.0281 0.3250 0.059 Uiso 1 1 calc R A .
H49B H 1.1547 -0.0301 0.2552 0.059 Uiso 1 1 calc R . .
H49C H 1.1626 -0.0750 0.3047 0.059 Uiso 1 1 calc R . .
C50 C 1.0455(4) -0.0046(4) 0.3802(2) 0.0398(13) Uani 1 1 d . . .
H50A H 0.9819 0.0113 0.3926 0.060 Uiso 1 1 calc R A .
H50B H 1.1119 0.0399 0.4075 0.060 Uiso 1 1 calc R . .
H50C H 1.0418 -0.0610 0.3831 0.060 Uiso 1 1 calc R . .
C51 C 0.7205(3) 0.1679(3) 0.3805(2) 0.0178(9) Uani 1 1 d . A .
C52 C 0.7821(4) 0.2013(3) 0.4411(2) 0.0224(9) Uani 1 1 d . . .
C53 C 0.7543(4) 0.2636(3) 0.4867(2) 0.0276(10) Uani 1 1 d . A .
H53 H 0.7957 0.2875 0.5275 0.033 Uiso 1 1 calc R . .
C54 C 0.6677(4) 0.2910(3) 0.4734(2) 0.0323(11) Uani 1 1 d . . .
H54 H 0.6499 0.3334 0.5051 0.039 Uiso 1 1 calc R A .
C55 C 0.6069(4) 0.2575(3) 0.4144(2) 0.0278(11) Uani 1 1 d . A .
H55 H 0.5469 0.2765 0.4062 0.033 Uiso 1 1 calc R . .
C56 C 0.6319(3) 0.1956(3) 0.3662(2) 0.0223(9) Uani 1 1 d . . .
C57 C 0.8748(4) 0.1688(3) 0.4574(2) 0.0243(10) Uani 1 1 d . A .
H57 H 0.8553 0.1065 0.4294 0.029 Uiso 1 1 calc R . .
C58 C 0.9843(4) 0.2171(3) 0.4471(2) 0.0287(10) Uani 1 1 d . . .
H58A H 0.9766 0.2136 0.4043 0.043 Uiso 1 1 calc R A .
H58B H 1.0387 0.1903 0.4555 0.043 Uiso 1 1 calc R . .
H58C H 1.0075 0.2782 0.4748 0.043 Uiso 1 1 calc R . .
C59 C 0.8900(4) 0.1705(4) 0.5234(2) 0.0361(12) Uani 1 1 d . . .
H59A H 0.9169 0.2310 0.5524 0.054 Uiso 1 1 calc R A .
H59B H 0.9427 0.1408 0.5290 0.054 Uiso 1 1 calc R . .
H59C H 0.8203 0.1408 0.5309 0.054 Uiso 1 1 calc R . .
C60 C 0.5674(4) 0.1627(3) 0.3014(2) 0.0268(10) Uani 1 1 d . A .
H60 H 0.5851 0.1101 0.2765 0.032 Uiso 1 1 calc R . .
C61 C 0.6036(4) 0.2323(3) 0.2736(2) 0.0345(12) Uani 1 1 d . . .
H61A H 0.5897 0.2855 0.2982 0.052 Uiso 1 1 calc R A .
H61B H 0.5628 0.2110 0.2312 0.052 Uiso 1 1 calc R . .
H61C H 0.6815 0.2450 0.2735 0.052 Uiso 1 1 calc R . .
C62 C 0.4447(4) 0.1368(4) 0.2973(3) 0.0384(13) Uani 1 1 d . . .
H62A H 0.4233 0.0951 0.3176 0.058 Uiso 1 1 calc R A .
H62B H 0.4077 0.1101 0.2539 0.058 Uiso 1 1 calc R . .
H62C H 0.4244 0.1887 0.3177 0.058 Uiso 1 1 calc R . .
C63 C 0.7465(3) -0.0897(3) 0.3601(2) 0.0193(9) Uani 1 1 d . A .
H63 H 0.8238 -0.0737 0.3551 0.023 Uiso 1 1 calc R . .
C64 C 0.6939(4) -0.1856(3) 0.3169(2) 0.0254(10) Uani 1 1 d . . .
H64A H 0.6201 -0.2085 0.3240 0.030 Uiso 1 1 calc R A .
H64B H 0.6873 -0.1902 0.2734 0.030 Uiso 1 1 calc R . .
C65 C 0.7652(4) -0.2390(3) 0.3295(2) 0.0322(11) Uani 1 1 d . A .
H65A H 0.7318 -0.3007 0.3017 0.039 Uiso 1 1 calc R . .
H65B H 0.8378 -0.2172 0.3206 0.039 Uiso 1 1 calc R . .
C66 C 0.7779(5) -0.2332(3) 0.3958(2) 0.0367(12) Uani 1 1 d . . .
H66A H 0.8289 -0.2641 0.4033 0.044 Uiso 1 1 calc R A .
H66B H 0.7067 -0.2621 0.4032 0.044 Uiso 1 1 calc R . .
C67 C 0.8205(4) -0.1388(3) 0.4403(2) 0.0336(12) Uani 1 1 d . A .
H67A H 0.8964 -0.1128 0.4373 0.040 Uiso 1 1 calc R . .
H67B H 0.8208 -0.1370 0.4829 0.040 Uiso 1 1 calc R . .
C68 C 0.7518(4) -0.0848(3) 0.4269(2) 0.0281(10) Uani 1 1 d . . .
H68A H 0.7841 -0.0234 0.4554 0.034 Uiso 1 1 calc R A .
H68B H 0.6774 -0.1071 0.4335 0.034 Uiso 1 1 calc R . .
C69 C 0.5934(3) -0.0181(3) 0.3575(2) 0.0204(9) Uani 1 1 d . A .
H69 H 0.5779 0.0227 0.3383 0.024 Uiso 1 1 calc R . .
C70 C 0.5851(4) 0.0202(3) 0.4255(2) 0.0253(10) Uani 1 1 d . . .
H70A H 0.5932 -0.0205 0.4460 0.030 Uiso 1 1 calc R A .
H70B H 0.6445 0.0759 0.4468 0.030 Uiso 1 1 calc R . .
C71 C 0.4753(4) 0.0355(3) 0.4302(2) 0.0312(11) Uani 1 1 d . A .
H71A H 0.4710 0.0598 0.4741 0.037 Uiso 1 1 calc R . .
H71B H 0.4687 0.0783 0.4114 0.037 Uiso 1 1 calc R . .
C72 C 0.3822(4) -0.0493(3) 0.3974(3) 0.0341(12) Uani 1 1 d . . .
H72A H 0.3843 -0.0900 0.4189 0.041 Uiso 1 1 calc R A .
H72B H 0.3120 -0.0375 0.3988 0.041 Uiso 1 1 calc R . .
C73 C 0.3905(4) -0.0913(3) 0.3306(2) 0.0313(11) Uani 1 1 d . A .
H73A H 0.3786 -0.0539 0.3078 0.038 Uiso 1 1 calc R . .
H73B H 0.3329 -0.1484 0.3113 0.038 Uiso 1 1 calc R . .
C74 C 0.5014(4) -0.1040(3) 0.3257(2) 0.0273(10) Uani 1 1 d . . .
H74A H 0.5104 -0.1460 0.3449 0.033 Uiso 1 1 calc R A .
H74B H 0.5052 -0.1287 0.2817 0.033 Uiso 1 1 calc R . .
C75 C 0.7361(4) 0.2475(3) 0.1362(2) 0.0225(10) Uani 0.95 1 d P A 1
H75 H 0.7509 0.2979 0.1724 0.027 Uiso 0.95 1 calc PR A 1
C76 C 0.6987(4) 0.1606(3) 0.1316(2) 0.0226(10) Uani 0.95 1 d P A 1
H76 H 0.6850 0.1401 0.1640 0.027 Uiso 0.95 1 calc PR A 1
C77 C 0.6847(4) 0.1056(3) 0.0635(2) 0.0243(10) Uani 0.95 1 d P A 1
H77 H 0.6816 0.0436 0.0540 0.029 Uiso 0.95 1 calc PR A 1
C78 C 0.5849(4) 0.1198(3) 0.0311(3) 0.0331(12) Uani 0.95 1 d P A 1
H78A H 0.5236 0.1121 0.0528 0.040 Uiso 0.95 1 calc PR A 1
H78B H 0.5603 0.0792 -0.0123 0.040 Uiso 0.95 1 calc PR A 1
C79 C 0.6308(4) 0.2164(3) 0.0357(3) 0.0310(12) Uani 0.95 1 d P A 1
H79A H 0.6306 0.2198 -0.0056 0.037 Uiso 0.95 1 calc PR A 1
H79B H 0.5885 0.2524 0.0579 0.037 Uiso 0.95 1 calc PR A 1
C80 C 0.7481(4) 0.2452(3) 0.0727(2) 0.0244(10) Uani 0.95 1 d P A 1
H80 H 0.7992 0.2989 0.0707 0.029 Uiso 0.95 1 calc PR A 1
C81 C 0.7774(4) 0.1609(3) 0.0450(2) 0.0264(10) Uani 0.95 1 d P A 1
H81A H 0.7713 0.1419 -0.0002 0.032 Uiso 0.95 1 calc PR A 1
H81B H 0.8499 0.1648 0.0651 0.032 Uiso 0.95 1 calc PR A 1
C82 C 1.0203(4) 0.4433(3) 0.3702(2) 0.0276(10) Uani 1 1 d . . .
H82 H 1.0936 0.4474 0.3673 0.033 Uiso 1 1 calc R A 1
C83 C 0.9468(4) 0.3821(3) 0.3867(2) 0.0274(10) Uani 1 1 d . A .
H83 H 0.9600 0.3354 0.3961 0.033 Uiso 1 1 calc R B 1
C84 C 0.8439(4) 0.4049(3) 0.3867(2) 0.0321(11) Uani 1 1 d . . .
H84 H 0.7771 0.3574 0.3836 0.039 Uiso 1 1 calc R A .
C85 C 0.8695(4) 0.4906(3) 0.4426(2) 0.0361(12) Uani 1 1 d . A .
H85A H 0.9039 0.4861 0.4804 0.043 Uiso 1 1 calc R . .
H85B H 0.8027 0.5063 0.4497 0.043 Uiso 1 1 calc R . .
C86 C 0.9492(5) 0.5578(3) 0.4235(2) 0.0387(13) Uani 1 1 d . . .
H86A H 1.0207 0.5838 0.4522 0.046 Uiso 1 1 calc R A .
H86B H 0.9196 0.6048 0.4221 0.046 Uiso 1 1 calc R . .
C87 C 0.9587(4) 0.5018(3) 0.3580(2) 0.0324(12) Uani 1 1 d . A .
H87 H 0.9879 0.5345 0.3317 0.039 Uiso 1 1 calc R . .
C88 C 0.8429(4) 0.4396(3) 0.3340(2) 0.0358(12) Uani 1 1 d . A .
H88A H 0.8335 0.3939 0.2931 0.043 Uiso 1 1 calc R . .
H88B H 0.7883 0.4700 0.3331 0.043 Uiso 1 1 calc R . .
C89 C 1.1410(4) 0.1401(3) 0.1610(2) 0.0279(10) Uani 1 1 d . . .
H89 H 1.1859 0.1992 0.1771 0.033 Uiso 1 1 calc R A 1
C90 C 1.1042(4) 0.0870(3) 0.1948(2) 0.0269(10) Uani 1 1 d . A .
H90 H 1.1202 0.1031 0.2383 0.032 Uiso 1 1 calc R C 1
C91 C 1.0345(4) -0.0004(3) 0.1482(2) 0.0251(10) Uani 1 1 d . . .
H91 H 0.9819 -0.0382 0.1641 0.030 Uiso 1 1 calc R A .
C92 C 1.1177(5) -0.0404(3) 0.1156(2) 0.0375(13) Uani 1 1 d . A .
H92A H 1.1788 -0.0364 0.1460 0.045 Uiso 1 1 calc R . .
H92B H 1.0822 -0.1020 0.0883 0.045 Uiso 1 1 calc R . .
C93 C 1.1570(5) 0.0174(3) 0.0778(3) 0.0413(14) Uani 1 1 d . . .
H93A H 1.2366 0.0468 0.0902 0.050 Uiso 1 1 calc R A .
H93B H 1.1382 -0.0175 0.0331 0.050 Uiso 1 1 calc R . .
C94 C 1.0946(4) 0.0839(3) 0.0944(2) 0.0332(12) Uani 1 1 d . A .
H94 H 1.0904 0.1157 0.0658 0.040 Uiso 1 1 calc R . .
C95 C 0.9854(4) 0.0244(3) 0.0976(2) 0.0340(12) Uani 1 1 d . A .
H95A H 0.9333 0.0561 0.1106 0.041 Uiso 1 1 calc R . .
H95B H 0.9515 -0.0262 0.0587 0.041 Uiso 1 1 calc R . .
C96 C 1.3607(5) 0.3823(6) 0.4983(3) 0.062(2) Uani 0.95 1 d P D 1
C97 C 1.2925(5) 0.3937(5) 0.4536(3) 0.0493(16) Uani 0.95 1 d P D 1
H97 H 1.2853 0.4494 0.4595 0.059 Uiso 0.95 1 calc PR D 1
C98 C 1.2360(5) 0.3229(5) 0.4010(3) 0.0521(18) Uani 0.95 1 d P D 1
H98 H 1.1886 0.3300 0.3710 0.063 Uiso 0.95 1 calc PR D 1
C99 C 1.2470(6) 0.2433(5) 0.3913(4) 0.061(2) Uani 0.95 1 d P D 1
H99 H 1.2082 0.1952 0.3547 0.073 Uiso 0.95 1 calc PR D 1
C100 C 1.3145(7) 0.2328(6) 0.4346(4) 0.070(2) Uani 0.95 1 d P D 1
H100 H 1.3223 0.1772 0.4281 0.085 Uiso 0.95 1 calc PR D 1
C101 C 1.3698(6) 0.3008(7) 0.4866(4) 0.068(2) Uani 0.95 1 d P D 1
H101 H 1.4164 0.2921 0.5160 0.081 Uiso 0.95 1 calc PR D 1
C102 C 1.4198(8) 0.4600(6) 0.5564(5) 0.102(3) Uani 0.95 1 d PU D 1
H10D H 1.3864 0.4536 0.5910 0.153 Uiso 0.95 1 calc PR D 1
H10E H 1.4151 0.5133 0.5509 0.153 Uiso 0.95 1 calc PR D 1
H10F H 1.4963 0.4633 0.5649 0.153 Uiso 0.95 1 calc PR D 1
Pt1A Pt 0.9383(4) 0.3090(3) 0.2812(2) 0.0195(10) Uani 0.05 1 d P A 2
In1A In 1.1036(7) 0.3538(6) 0.2231(4) 0.016(2) Uani 0.05 1 d PU A 2
Pt2A Pt 0.9968(4) 0.1850(4) 0.2019(3) 0.0198(12) Uani 0.05 1 d P A 2
In2A In 0.9106(8) 0.1539(7) 0.2941(5) 0.022(2) Uani 0.05 1 d PU A 2
Pt3A Pt 1.1221(3) 0.2798(2) 0.31289(16) 0.0233(7) Uani 0.05 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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'
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
C83 Pt1 C82 38.00(17) . . ?
C83 Pt1 Pt3 132.11(14) . . ?
C82 Pt1 Pt3 139.17(14) . . ?
C83 Pt1 Pt2 155.55(12) . . ?
C82 Pt1 Pt2 152.42(13) . . ?
Pt3 Pt1 Pt2 59.13(3) . . ?
C83 Pt1 In1 141.15(12) . . ?
C82 Pt1 In1 103.98(12) . . ?
Pt3 Pt1 In1 66.03(3) . . ?
Pt2 Pt1 In1 60.59(2) . . ?
C83 Pt1 In2 102.53(13) . . ?
C82 Pt1 In2 140.30(12) . . ?
Pt3 Pt1 In2 63.45(4) . . ?
Pt2 Pt1 In2 60.48(3) . . ?
In1 Pt1 In2 115.70(3) . . ?
N2 In1 N1 59.05(12) . . ?
N2 In1 Pt1 125.08(9) . . ?
N1 In1 Pt1 150.27(9) . . ?
N2 In1 Pt2 173.40(9) . . ?
N1 In1 Pt2 114.45(8) . . ?
Pt1 In1 Pt2 59.65(3) . . ?
N2 In1 Pt3 130.13(9) . . ?
N1 In1 Pt3 148.08(9) . . ?
Pt1 In1 Pt3 56.55(3) . . ?
Pt2 In1 Pt3 55.79(3) . . ?
C1 N1 C2 131.1(3) . . ?
C1 N1 In1A 100.3(3) . . ?
C2 N1 In1A 127.3(4) . . ?
C1 N1 In1 94.9(2) . . ?
C2 N1 In1 128.6(2) . . ?
In1A N1 In1 13.6(2) . . ?
N1 C1 N2 110.6(3) . . ?
N1 C1 N3 125.5(3) . . ?
N2 C1 N3 123.9(3) . . ?
C89 Pt2 C90 38.52(17) . . ?
C89 Pt2 Pt3 131.58(14) . . ?
C90 Pt2 Pt3 140.17(14) . . ?
C89 Pt2 Pt1 155.17(13) . . ?
C90 Pt2 Pt1 150.89(13) . . ?
Pt3 Pt2 Pt1 59.99(3) . . ?
C89 Pt2 In1 102.14(13) . . ?
C90 Pt2 In1 139.68(12) . . ?
Pt3 Pt2 In1 66.04(3) . . ?
Pt1 Pt2 In1 59.76(2) . . ?
C89 Pt2 In2 142.44(12) . . ?
C90 Pt2 In2 105.54(13) . . ?
Pt3 Pt2 In2 63.66(2) . . ?
Pt1 Pt2 In2 60.23(3) . . ?
In1 Pt2 In2 114.73(3) . . ?
N5 In2 N4 59.30(12) . . ?
N5 In2 Pt1 120.41(9) . . ?
N4 In2 Pt1 155.93(9) . . ?
N5 In2 Pt2 176.63(9) . . ?
N4 In2 Pt2 119.38(9) . . ?
Pt1 In2 Pt2 59.29(3) . . ?
N5 In2 Pt3 126.24(9) . . ?
N4 In2 Pt3 144.91(10) . . ?
Pt1 In2 Pt3 57.43(3) . . ?
Pt2 In2 Pt3 56.80(2) . . ?
C1 N2 C14 126.7(3) . . ?
C1 N2 In1 95.4(2) . . ?
C14 N2 In1 127.5(3) . . ?
C1 N2 In1A 89.7(3) . . ?
C14 N2 In1A 124.7(4) . . ?
In1 N2 In1A 12.8(2) . . ?
C3 C2 C7 120.9(4) . . ?
C3 C2 N1 120.8(4) . . ?
C7 C2 N1 117.9(4) . . ?
C75 Pt3 C76 38.73(17) . . ?
C75 Pt3 Pt2 158.21(12) . . ?
C76 Pt3 Pt2 140.60(12) . . ?
C75 Pt3 Pt1 132.34(13) . . ?
C76 Pt3 Pt1 150.11(13) . . ?
Pt2 Pt3 Pt1 60.88(3) . . ?
C75 Pt3 In2 140.04(12) . . ?
C76 Pt3 In2 108.97(12) . . ?
Pt2 Pt3 In2 59.54(3) . . ?
Pt1 Pt3 In2 59.13(2) . . ?
C75 Pt3 In1 111.01(13) . . ?
C76 Pt3 In1 145.17(12) . . ?
Pt2 Pt3 In1 58.17(2) . . ?
Pt1 Pt3 In1 57.42(3) . . ?
In2 Pt3 In1 105.54(3) . . ?
C1 N3 C26 119.3(3) . . ?
C1 N3 C32 118.9(3) . . ?
C26 N3 C32 121.8(3) . . ?
C4 C3 C2 118.8(4) . . ?
C4 C3 C8 120.8(4) . . ?
C2 C3 C8 120.4(4) . . ?
C38 N4 C39 126.4(3) . . ?
C38 N4 In2A 98.0(4) . . ?
C39 N4 In2A 132.7(4) . . ?
C38 N4 In2 94.4(2) . . ?
C39 N4 In2 130.1(3) . . ?
In2A N4 In2 13.6(3) . . ?
C5 C4 C3 120.4(5) . . ?
C38 N5 C51 127.2(3) . . ?
C38 N5 In2 96.2(2) . . ?
C51 N5 In2 128.7(2) . . ?
C38 N5 In2A 92.1(3) . . ?
C51 N5 In2A 124.7(4) . . ?
In2 N5 In2A 13.1(2) . . ?
C6 C5 C4 120.4(4) . . ?
C38 N6 C69 118.8(3) . . ?
C38 N6 C63 119.3(3) . . ?
C69 N6 C63 121.8(3) . . ?
C5 C6 C7 121.0(4) . . ?
C6 C7 C2 118.4(4) . . ?
C6 C7 C11 121.3(4) . . ?
C2 C7 C11 120.3(4) . . ?
C3 C8 C10 110.3(4) . . ?
C3 C8 C9 113.6(4) . . ?
C10 C8 C9 108.5(4) . . ?
C12 C11 C7 112.4(4) . . ?
C12 C11 C13 111.1(4) . . ?
C7 C11 C13 112.1(4) . . ?
C15 C14 C19 120.7(4) . . ?
C15 C14 N2 116.9(4) . . ?
C19 C14 N2 122.2(4) . . ?
C16 C15 C14 118.1(4) . . ?
C16 C15 C20 120.3(4) . . ?
C14 C15 C20 121.6(4) . . ?
C17 C16 C15 121.7(5) . . ?
C16 C17 C18 119.8(4) . . ?
C17 C18 C19 121.3(5) . . ?
C18 C19 C14 118.1(4) . . ?
C18 C19 C23 120.0(4) . . ?
C14 C19 C23 121.9(4) . . ?
C22 C20 C15 113.3(4) . . ?
C22 C20 C21 108.6(4) . . ?
C15 C20 C21 113.6(4) . . ?
C24 C23 C19 114.6(4) . . ?
C24 C23 C25 108.7(4) . . ?
C19 C23 C25 111.3(4) . . ?
N3 C26 C27 114.1(3) . . ?
N3 C26 C31 116.4(4) . . ?
C27 C26 C31 108.5(3) . . ?
C28 C27 C26 110.6(4) . . ?
C27 C28 C29 112.0(4) . . ?
C30 C29 C28 110.6(4) . . ?
C29 C30 C31 110.9(4) . . ?
C30 C31 C26 110.2(4) . . ?
N3 C32 C33 114.0(3) . . ?
N3 C32 C37 115.9(4) . . ?
C33 C32 C37 108.8(3) . . ?
C32 C33 C34 110.1(4) . . ?
C35 C34 C33 111.1(4) . . ?
C36 C35 C34 111.5(4) . . ?
C35 C36 C37 109.9(4) . . ?
C32 C37 C36 109.0(4) . . ?
N4 C38 N5 110.1(3) . . ?
N4 C38 N6 125.7(3) . . ?
N5 C38 N6 124.1(4) . . ?
C40 C39 C44 121.2(4) . . ?
C40 C39 N4 121.4(4) . . ?
C44 C39 N4 117.1(4) . . ?
C41 C40 C39 118.0(4) . . ?
C41 C40 C45 120.3(4) . . ?
C39 C40 C45 121.6(4) . . ?
C42 C41 C40 121.4(5) . . ?
C43 C42 C41 119.6(4) . . ?
C42 C43 C44 121.8(5) . . ?
C43 C44 C39 117.5(4) . . ?
C43 C44 C48 120.7(4) . . ?
C39 C44 C48 121.8(4) . . ?
C40 C45 C47 113.7(4) . . ?
C40 C45 C46 109.8(4) . . ?
C47 C45 C46 109.0(4) . . ?
C50 C48 C44 114.5(4) . . ?
C50 C48 C49 108.9(4) . . ?
C44 C48 C49 112.3(4) . . ?
C52 C51 C56 121.2(4) . . ?
C52 C51 N5 121.0(4) . . ?
C56 C51 N5 117.4(4) . . ?
C53 C52 C51 118.3(4) . . ?
C53 C52 C57 120.2(4) . . ?
C51 C52 C57 121.5(4) . . ?
C54 C53 C52 121.1(5) . . ?
C55 C54 C53 120.4(4) . . ?
C54 C55 C56 121.3(4) . . ?
C55 C56 C51 117.6(4) . . ?
C55 C56 C60 120.5(4) . . ?
C51 C56 C60 121.9(4) . . ?
C52 C57 C59 113.5(4) . . ?
C52 C57 C58 113.7(4) . . ?
C59 C57 C58 108.6(4) . . ?
C56 C60 C62 113.6(4) . . ?
C56 C60 C61 109.0(4) . . ?
C62 C60 C61 110.3(4) . . ?
N6 C63 C68 114.2(3) . . ?
N6 C63 C64 116.8(4) . . ?
C68 C63 C64 108.4(3) . . ?
C65 C64 C63 109.0(4) . . ?
C66 C65 C64 111.5(4) . . ?
C65 C66 C67 111.1(4) . . ?
C66 C67 C68 112.2(4) . . ?
C67 C68 C63 110.0(4) . . ?
N6 C69 C74 113.4(3) . . ?
N6 C69 C70 116.1(4) . . ?
C74 C69 C70 108.6(4) . . ?
C71 C70 C69 110.4(4) . . ?
C72 C71 C70 110.7(4) . . ?
C73 C72 C71 110.8(4) . . ?
C72 C73 C74 111.6(4) . . ?
C69 C74 C73 111.3(4) . . ?
C76 C75 C80 106.4(4) . . ?
C76 C75 Pt3 71.4(3) . . ?
C80 C75 Pt3 118.8(3) . . ?
C75 C76 C77 105.7(4) . . ?
C75 C76 Pt3 69.9(3) . . ?
C77 C76 Pt3 120.6(3) . . ?
C81 C77 C76 101.7(4) . . ?
C81 C77 C78 101.0(4) . . ?
C76 C77 C78 104.3(4) . . ?
C77 C78 C79 102.8(4) . . ?
C80 C79 C78 102.3(4) . . ?
C75 C80 C81 102.5(4) . . ?
C75 C80 C79 105.4(4) . . ?
C81 C80 C79 100.3(4) . . ?
C77 C81 C80 94.2(4) . . ?
C83 C82 C87 106.0(4) . . ?
C83 C82 Pt1 70.9(3) . . ?
C87 C82 Pt1 116.0(3) . . ?
C83 C82 Pt1A 70.0(3) . . ?
C87 C82 Pt1A 102.2(3) . . ?
Pt1 C82 Pt1A 14.24(12) . . ?
C82 C83 C84 106.5(4) . . ?
C82 C83 Pt1 71.1(3) . . ?
C84 C83 Pt1 117.9(3) . . ?
C82 C83 Pt1A 75.9(3) . . ?
C84 C83 Pt1A 102.8(3) . . ?
Pt1 C83 Pt1A 15.23(12) . . ?
C83 C84 C88 101.7(4) . . ?
C83 C84 C85 105.6(4) . . ?
C88 C84 C85 100.2(4) . . ?
C84 C85 C86 103.2(4) . . ?
C85 C86 C87 102.8(4) . . ?
C82 C87 C88 102.0(4) . . ?
C82 C87 C86 103.7(4) . . ?
C88 C87 C86 100.3(4) . . ?
C87 C88 C84 94.5(4) . . ?
C90 C89 C94 105.9(4) . . ?
C90 C89 Pt2 70.8(3) . . ?
C94 C89 Pt2 118.8(3) . . ?
C90 C89 Pt2A 74.9(3) . . ?
C94 C89 Pt2A 106.1(3) . . ?
Pt2 C89 Pt2A 12.85(15) . . ?
C89 C90 C91 106.4(4) . . ?
C89 C90 Pt2 70.7(2) . . ?
C91 C90 Pt2 118.1(3) . . ?
C89 C90 Pt2A 70.9(3) . . ?
C91 C90 Pt2A 106.3(3) . . ?
Pt2 C90 Pt2A 12.04(15) . . ?
C90 C91 C95 102.3(4) . . ?
C90 C91 C92 104.0(4) . . ?
C95 C91 C92 99.6(4) . . ?
C93 C92 C91 102.8(4) . . ?
C94 C93 C92 103.0(4) . . ?
C89 C94 C95 102.3(4) . . ?
C89 C94 C93 105.9(4) . . ?
C95 C94 C93 99.6(4) . . ?
C91 C95 C94 94.7(4) . . ?
C101 C96 C97 117.8(7) . . ?
C101 C96 C102 123.6(8) . . ?
C97 C96 C102 118.5(8) . . ?
C98 C97 C96 119.2(7) . . ?
C99 C98 C97 121.1(7) . . ?
C98 C99 C100 119.6(8) . . ?
C101 C100 C99 120.4(8) . . ?
C100 C101 C96 121.9(8) . . ?
C83 Pt1A C82 34.04(17) . . ?
C83 Pt1A Pt3A 88.0(2) . . ?
C82 Pt1A Pt3A 82.4(2) . . ?
C83 Pt1A Pt2A 143.5(3) . . ?
C82 Pt1A Pt2A 139.5(3) . . ?
Pt3A Pt1A Pt2A 59.94(18) . . ?
C83 Pt1A In2A 92.8(3) . . ?
C82 Pt1A In2A 119.7(3) . . ?
Pt3A Pt1A In2A 65.4(3) . . ?
Pt2A Pt1A In2A 59.6(3) . . ?
C83 Pt1A In1A 122.7(3) . . ?
C82 Pt1A In1A 90.9(3) . . ?
Pt3A Pt1A In1A 63.0(2) . . ?
Pt2A Pt1A In1A 60.2(3) . . ?
In2A Pt1A In1A 114.0(3) . . ?
N1 In1A N2 58.4(3) . . ?
N1 In1A Pt2A 122.7(4) . . ?
N2 In1A Pt2A 147.7(4) . . ?
N1 In1A Pt1A 170.9(4) . . ?
N2 In1A Pt1A 115.1(4) . . ?
Pt2A In1A Pt1A 58.7(3) . . ?
N1 In1A Pt3A 131.6(4) . . ?
N2 In1A Pt3A 150.2(4) . . ?
Pt2A In1A Pt3A 57.6(3) . . ?
Pt1A In1A Pt3A 57.3(2) . . ?
C89 Pt2A C90 34.19(17) . . ?
C89 Pt2A Pt3A 92.8(2) . . ?
C90 Pt2A Pt3A 86.0(2) . . ?
C89 Pt2A Pt1A 147.3(3) . . ?
C90 Pt2A Pt1A 143.3(3) . . ?
Pt3A Pt2A Pt1A 60.0(2) . . ?
C89 Pt2A In2A 127.3(4) . . ?
C90 Pt2A In2A 94.2(3) . . ?
Pt3A Pt2A In2A 65.9(3) . . ?
Pt1A Pt2A In2A 61.0(3) . . ?
C89 Pt2A In1A 91.6(3) . . ?
C90 Pt2A In1A 117.8(3) . . ?
Pt3A Pt2A In1A 63.3(3) . . ?
Pt1A Pt2A In1A 61.1(3) . . ?
In2A Pt2A In1A 116.0(4) . . ?
N4 In2A N5 58.5(3) . . ?
N4 In2A Pt2A 121.9(5) . . ?
N5 In2A Pt2A 146.9(5) . . ?
N4 In2A Pt1A 164.7(5) . . ?
N5 In2A Pt1A 111.2(4) . . ?
Pt2A In2A Pt1A 59.4(3) . . ?
N4 In2A Pt3A 138.3(4) . . ?
N5 In2A Pt3A 148.6(5) . . ?
Pt2A In2A Pt3A 56.9(3) . . ?
Pt1A In2A Pt3A 56.5(2) . . ?
Pt2A Pt3A Pt1A 60.09(19) . . ?
Pt2A Pt3A In1A 59.2(2) . . ?
Pt1A Pt3A In1A 59.7(2) . . ?
Pt2A Pt3A In2A 57.2(3) . . ?
Pt1A Pt3A In2A 58.1(2) . . ?
In1A Pt3A In2A 105.8(3) . . ?
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 C83 2.154(4) . ?
Pt1 C82 2.157(4) . ?
Pt1 Pt3 2.6455(13) . ?
Pt1 Pt2 2.6688(10) . ?
Pt1 In1 2.6717(9) . ?
Pt1 In2 2.6945(11) . ?
In1 N2 2.236(3) . ?
In1 N1 2.262(3) . ?
In1 Pt2 2.6940(8) . ?
In1 Pt3 2.8974(13) . ?
N1 C1 1.337(5) . ?
N1 C2 1.423(5) . ?
N1 In1A 2.154(10) . ?
C1 N2 1.360(5) . ?
C1 N3 1.386(5) . ?
Pt2 C89 2.148(4) . ?
Pt2 C90 2.149(4) . ?
Pt2 Pt3 2.6221(7) . ?
Pt2 In2 2.7012(10) . ?
In2 N5 2.222(3) . ?
In2 N4 2.266(3) . ?
In2 Pt3 2.8083(8) . ?
N2 C14 1.421(5) . ?
N2 In1A 2.376(10) . ?
C2 C3 1.404(6) . ?
C2 C7 1.411(6) . ?
Pt3 C75 2.106(5) . ?
Pt3 C76 2.125(5) . ?
N3 C26 1.488(5) . ?
N3 C32 1.497(5) . ?
C3 C4 1.392(6) . ?
C3 C8 1.526(6) . ?
N4 C38 1.352(5) . ?
N4 C39 1.428(5) . ?
N4 In2A 2.208(11) . ?
C4 C5 1.390(7) . ?
N5 C38 1.358(5) . ?
N5 C51 1.427(5) . ?
N5 In2A 2.333(11) . ?
C5 C6 1.381(7) . ?
N6 C38 1.374(5) . ?
N6 C69 1.487(5) . ?
N6 C63 1.501(5) . ?
C6 C7 1.390(6) . ?
C7 C11 1.527(7) . ?
C8 C10 1.527(6) . ?
C8 C9 1.529(6) . ?
C11 C12 1.525(6) . ?
C11 C13 1.530(6) . ?
C14 C15 1.415(6) . ?
C14 C19 1.415(6) . ?
C15 C16 1.399(6) . ?
C15 C20 1.513(7) . ?
C16 C17 1.372(7) . ?
C17 C18 1.387(7) . ?
C18 C19 1.399(6) . ?
C19 C23 1.529(6) . ?
C20 C22 1.508(8) . ?
C20 C21 1.524(7) . ?
C23 C24 1.523(6) . ?
C23 C25 1.533(6) . ?
C26 C27 1.531(6) . ?
C26 C31 1.542(6) . ?
C27 C28 1.529(6) . ?
C28 C29 1.532(7) . ?
C29 C30 1.523(7) . ?
C30 C31 1.523(6) . ?
C32 C33 1.524(6) . ?
C32 C37 1.541(6) . ?
C33 C34 1.538(6) . ?
C34 C35 1.531(7) . ?
C35 C36 1.518(7) . ?
C36 C37 1.545(6) . ?
C39 C40 1.402(6) . ?
C39 C44 1.423(6) . ?
C40 C41 1.392(6) . ?
C40 C45 1.522(6) . ?
C41 C42 1.391(7) . ?
C42 C43 1.373(7) . ?
C43 C44 1.394(6) . ?
C44 C48 1.521(7) . ?
C45 C47 1.523(6) . ?
C45 C46 1.538(6) . ?
C48 C50 1.519(7) . ?
C48 C49 1.533(6) . ?
C51 C52 1.412(6) . ?
C51 C56 1.412(6) . ?
C52 C53 1.395(6) . ?
C52 C57 1.525(6) . ?
C53 C54 1.381(7) . ?
C54 C55 1.376(7) . ?
C55 C56 1.407(6) . ?
C56 C60 1.508(7) . ?
C57 C59 1.530(6) . ?
C57 C58 1.533(6) . ?
C60 C62 1.525(6) . ?
C60 C61 1.530(6) . ?
C63 C68 1.535(6) . ?
C63 C64 1.541(6) . ?
C64 C65 1.539(6) . ?
C65 C66 1.515(7) . ?
C66 C67 1.522(7) . ?
C67 C68 1.529(6) . ?
C69 C74 1.526(6) . ?
C69 C70 1.541(6) . ?
C70 C71 1.529(6) . ?
C71 C72 1.525(7) . ?
C72 C73 1.524(7) . ?
C73 C74 1.528(6) . ?
C75 C76 1.403(6) . ?
C75 C80 1.502(6) . ?
C76 C77 1.529(7) . ?
C77 C81 1.520(6) . ?
C77 C78 1.559(7) . ?
C78 C79 1.567(7) . ?
C79 C80 1.547(7) . ?
C80 C81 1.543(6) . ?
C82 C83 1.404(6) . ?
C82 C87 1.517(7) . ?
C82 Pt1A 2.432(7) . ?
C83 C84 1.494(7) . ?
C83 Pt1A 2.357(7) . ?
C84 C88 1.539(7) . ?
C84 C85 1.542(7) . ?
C85 C86 1.548(7) . ?
C86 C87 1.558(7) . ?
C87 C88 1.521(7) . ?
C89 C90 1.417(6) . ?
C89 C94 1.500(7) . ?
C89 Pt2A 2.383(7) . ?
C90 C91 1.507(6) . ?
C90 Pt2A 2.435(7) . ?
C91 C95 1.525(7) . ?
C91 C92 1.563(6) . ?
C92 C93 1.556(7) . ?
C93 C94 1.542(6) . ?
C94 C95 1.538(7) . ?
C96 C101 1.374(11) . ?
C96 C97 1.406(10) . ?
C96 C102 1.511(11) . ?
C97 C98 1.380(9) . ?
C98 C99 1.358(10) . ?
C99 C100 1.368(11) . ?
C100 C101 1.347(11) . ?
Pt1A Pt3A 2.661(6) . ?
Pt1A Pt2A 2.665(8) . ?
Pt1A In2A 2.708(11) . ?
Pt1A In1A 2.730(11) . ?
In1A Pt2A 2.707(11) . ?
In1A Pt3A 2.816(10) . ?
Pt2A Pt3A 2.661(8) . ?
Pt2A In2A 2.671(13) . ?
In2A Pt3A 2.902(11) . ?
