#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:29:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179113 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/75/4307560.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_4307560
loop_
_publ_author_name
'Shaun P. Green'
'Cameron Jones'
'Andreas Stasch'
_publ_section_title
;
Homo- and Heteroleptic Complexes of Four-Membered Group 13 Metal(I)
N-Heterocyclic Carbene Analogues with Group 10 Metal(0) Fragments
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11
_journal_page_last               13
_journal_paper_doi               10.1021/ic062057d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C103 H143 In2 N6 P2 Pt'
_chemical_formula_weight         1951.90
_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                102.36(3)
_cell_angle_beta                 98.51(3)
_cell_angle_gamma                106.69(3)
_cell_formula_units_Z            2
_cell_length_a                   15.690(3)
_cell_length_b                   18.532(4)
_cell_length_c                   19.397(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5143(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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30631
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    1.877
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2018
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.782
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1042
_refine_ls_number_reflns         17969
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0653P)²+14.5883P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1307
_refine_ls_wR_factor_ref         0.1447
_reflns_number_gt                13740
_reflns_number_total             17969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062057dsi20061027_072438.cif
_cod_data_source_block           compound5
_cod_original_cell_volume        5143.0(18)
_cod_database_code               4307560
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 0.663447(18) 0.489598(16) 0.295750(14) 0.02878(9) Uani 1 1 d . . .
In1 In 0.70548(3) 0.38941(3) 0.20885(2) 0.03013(13) Uani 1 1 d . . .
In2 In 0.78734(3) 0.61030(3) 0.29137(3) 0.03088(13) Uani 1 1 d . . .
P1 P 0.65118(13) 0.46581(11) 0.40342(10) 0.0330(4) Uani 1 1 d . . .
P2 P 0.51997(12) 0.49327(11) 0.27616(10) 0.0347(4) Uani 1 1 d . . .
N1 N 0.7180(4) 0.2668(3) 0.1720(3) 0.0266(12) Uani 1 1 d . . .
N2 N 0.7196(4) 0.3435(3) 0.0965(3) 0.0292(13) Uani 1 1 d . . .
N3 N 0.7054(4) 0.2099(3) 0.0442(3) 0.0335(14) Uani 1 1 d . . .
N4 N 0.8362(4) 0.7416(3) 0.2975(3) 0.0280(13) Uani 1 1 d . . .
N5 N 0.9362(4) 0.6792(3) 0.3165(3) 0.0292(13) Uani 1 1 d . . .
N6 N 0.9960(4) 0.8193(3) 0.3472(3) 0.0291(13) Uani 1 1 d . . .
C1 C 0.7148(5) 0.2706(4) 0.1026(4) 0.0317(16) Uani 1 1 d . . .
C2 C 0.6889(5) 0.1985(4) 0.1970(4) 0.0342(17) Uani 1 1 d . . .
C3 C 0.5959(5) 0.1581(4) 0.1880(4) 0.0402(19) Uani 1 1 d . . .
C4 C 0.5711(6) 0.0948(5) 0.2170(4) 0.053(2) Uani 1 1 d . . .
H4 H 0.5083 0.0683 0.2134 0.064 Uiso 1 1 calc R . .
C5 C 0.6362(6) 0.0701(5) 0.2510(5) 0.057(2) Uani 1 1 d . . .
H5 H 0.6180 0.0243 0.2672 0.068 Uiso 1 1 calc R . .
C6 C 0.7268(6) 0.1106(4) 0.2616(4) 0.046(2) Uani 1 1 d . . .
H6 H 0.7710 0.0939 0.2867 0.055 Uiso 1 1 calc R . .
C7 C 0.7551(5) 0.1766(4) 0.2357(4) 0.0366(17) Uani 1 1 d . . .
C8 C 0.5218(5) 0.1878(4) 0.1576(4) 0.044(2) Uani 1 1 d . . .
H8 H 0.5484 0.2242 0.1291 0.052 Uiso 1 1 calc R . .
C9 C 0.4906(5) 0.2346(5) 0.2188(5) 0.050(2) Uani 1 1 d . . .
H9A H 0.4644 0.2004 0.2479 0.076 Uiso 1 1 calc R . .
H9B H 0.4444 0.2546 0.1978 0.076 Uiso 1 1 calc R . .
H9C H 0.5431 0.2786 0.2498 0.076 Uiso 1 1 calc R . .
C10 C 0.4378(5) 0.1228(5) 0.1069(5) 0.054(2) Uani 1 1 d . . .
H10A H 0.4575 0.0888 0.0712 0.081 Uiso 1 1 calc R . .
H10B H 0.3985 0.1462 0.0819 0.081 Uiso 1 1 calc R . .
H10C H 0.4039 0.0919 0.1353 0.081 Uiso 1 1 calc R . .
C11 C 0.8563(5) 0.2241(4) 0.2499(4) 0.0376(18) Uani 1 1 d . . .
H11 H 0.8667 0.2416 0.2056 0.045 Uiso 1 1 calc R . .
C12 C 0.8788(5) 0.2975(4) 0.3125(4) 0.0434(19) Uani 1 1 d . . .
H12A H 0.8403 0.3284 0.3005 0.065 Uiso 1 1 calc R . .
H12B H 0.9432 0.3290 0.3206 0.065 Uiso 1 1 calc R . .
H12C H 0.8674 0.2823 0.3565 0.065 Uiso 1 1 calc R . .
C13 C 0.9211(6) 0.1789(5) 0.2645(5) 0.055(2) Uani 1 1 d . . .
H13A H 0.9235 0.1717 0.3132 0.082 Uiso 1 1 calc R . .
H13B H 0.9824 0.2083 0.2608 0.082 Uiso 1 1 calc R . .
H13C H 0.8993 0.1277 0.2287 0.082 Uiso 1 1 calc R . .
C14 C 0.7659(5) 0.3775(4) 0.0480(3) 0.0305(16) Uani 1 1 d . . .
C15 C 0.7184(5) 0.4091(4) 0.0013(3) 0.0302(16) Uani 1 1 d . . .
C16 C 0.7644(5) 0.4423(4) -0.0480(4) 0.0398(18) Uani 1 1 d . . .
H16 H 0.7331 0.4620 -0.0815 0.048 Uiso 1 1 calc R . .
C17 C 0.8534(6) 0.4466(5) -0.0483(4) 0.0442(19) Uani 1 1 d . . .
H17 H 0.8824 0.4678 -0.0826 0.053 Uiso 1 1 calc R . .
C18 C 0.9009(5) 0.4202(4) 0.0014(4) 0.0388(18) Uani 1 1 d . . .
H18 H 0.9628 0.4249 0.0017 0.047 Uiso 1 1 calc R . .
C19 C 0.8589(5) 0.3868(4) 0.0511(4) 0.0324(16) Uani 1 1 d . . .
C20 C 0.6241(5) 0.4119(4) 0.0054(4) 0.0380(18) Uani 1 1 d . . .
H20 H 0.5936 0.3686 0.0258 0.046 Uiso 1 1 calc R . .
C21 C 0.6307(5) 0.4891(5) 0.0566(4) 0.0454(19) Uani 1 1 d . . .
H21A H 0.6696 0.4964 0.1038 0.068 Uiso 1 1 calc R . .
H21B H 0.5696 0.4883 0.0627 0.068 Uiso 1 1 calc R . .
H21C H 0.6573 0.5323 0.0364 0.068 Uiso 1 1 calc R . .
C22 C 0.5632(6) 0.4013(5) -0.0685(4) 0.054(2) Uani 1 1 d . . .
H22A H 0.4991 0.3859 -0.0653 0.081 Uiso 1 1 calc R . .
H22B H 0.5723 0.3605 -0.1053 0.081 Uiso 1 1 calc R . .
H22C H 0.5797 0.4507 -0.0820 0.081 Uiso 1 1 calc R . .
C23 C 0.9156(5) 0.3674(4) 0.1110(4) 0.0381(18) Uani 1 1 d . . .
H23 H 0.8755 0.3197 0.1207 0.046 Uiso 1 1 calc R . .
C24 C 0.9438(5) 0.4341(5) 0.1812(4) 0.049(2) Uani 1 1 d . . .
H24A H 0.9834 0.4820 0.1736 0.073 Uiso 1 1 calc R . .
H24B H 0.9769 0.4197 0.2202 0.073 Uiso 1 1 calc R . .
H24C H 0.8892 0.4431 0.1946 0.073 Uiso 1 1 calc R . .
C25 C 0.9993(6) 0.3494(5) 0.0920(5) 0.055(2) Uani 1 1 d . . .
H25A H 0.9810 0.3084 0.0462 0.083 Uiso 1 1 calc R . .
H25B H 1.0278 0.3315 0.1305 0.083 Uiso 1 1 calc R . .
H25C H 1.0430 0.3968 0.0870 0.083 Uiso 1 1 calc R . .
C26 C 0.7431(6) 0.1479(4) 0.0546(4) 0.043(2) Uani 1 1 d . . .
H26 H 0.7705 0.1625 0.1077 0.052 Uiso 1 1 calc R . .
C27 C 0.6758(7) 0.0661(4) 0.0377(5) 0.063(3) Uani 1 1 d . . .
H27A H 0.6518 0.0452 -0.0153 0.076 Uiso 1 1 calc R . .
H27B H 0.6238 0.0678 0.0607 0.076 Uiso 1 1 calc R . .
C28 C 0.7216(9) 0.0127(6) 0.0657(5) 0.084(4) Uani 1 1 d . . .
H28A H 0.7443 0.0331 0.1189 0.100 Uiso 1 1 calc R . .
H28B H 0.6764 -0.0403 0.0552 0.100 Uiso 1 1 calc R . .
C29 C 0.7986(9) 0.0077(7) 0.0315(7) 0.088(3) Uani 1 1 d U . .
H29A H 0.7754 -0.0166 -0.0212 0.106 Uiso 1 1 calc R . .
H29B H 0.8287 -0.0257 0.0519 0.106 Uiso 1 1 calc R . .
C30 C 0.8666(9) 0.0879(7) 0.0446(6) 0.089(4) Uani 1 1 d . . .
H30A H 0.9157 0.0838 0.0188 0.106 Uiso 1 1 calc R . .
H30B H 0.8947 0.1096 0.0970 0.106 Uiso 1 1 calc R . .
C31 C 0.8207(7) 0.1442(6) 0.0179(6) 0.070(3) Uani 1 1 d . . .
H31A H 0.8663 0.1971 0.0293 0.084 Uiso 1 1 calc R . .
H31B H 0.7972 0.1252 -0.0352 0.084 Uiso 1 1 calc R . .
C32 C 0.6520(5) 0.2065(4) -0.0274(4) 0.0356(17) Uani 1 1 d . . .
H32 H 0.6434 0.2588 -0.0210 0.043 Uiso 1 1 calc R . .
C33 C 0.5574(6) 0.1486(5) -0.0474(4) 0.056(2) Uani 1 1 d . . .
H33A H 0.5269 0.1577 -0.0068 0.067 Uiso 1 1 calc R . .
H33B H 0.5610 0.0950 -0.0555 0.067 Uiso 1 1 calc R . .
C34 C 0.5002(6) 0.1548(5) -0.1159(4) 0.056(2) Uani 1 1 d . . .
H34A H 0.4397 0.1135 -0.1291 0.067 Uiso 1 1 calc R . .
H34B H 0.4906 0.2062 -0.1062 0.067 Uiso 1 1 calc R . .
C35 C 0.5468(6) 0.1461(5) -0.1780(4) 0.051(2) Uani 1 1 d . . .
H35A H 0.5506 0.0926 -0.1912 0.062 Uiso 1 1 calc R . .
H35B H 0.5105 0.1535 -0.2206 0.062 Uiso 1 1 calc R . .
C36 C 0.6404(6) 0.2046(6) -0.1582(4) 0.056(2) Uani 1 1 d . . .
H36A H 0.6360 0.2579 -0.1495 0.067 Uiso 1 1 calc R . .
H36B H 0.6707 0.1964 -0.1991 0.067 Uiso 1 1 calc R . .
C37 C 0.6990(5) 0.1981(5) -0.0897(4) 0.050(2) Uani 1 1 d . . .
H37A H 0.7087 0.1467 -0.0997 0.060 Uiso 1 1 calc R . .
H37B H 0.7594 0.2395 -0.0765 0.060 Uiso 1 1 calc R . .
C38 C 0.9242(4) 0.7490(4) 0.3209(3) 0.0289(15) Uani 1 1 d . . .
C39 C 0.7936(4) 0.7994(4) 0.3126(4) 0.0311(16) Uani 1 1 d . . .
C40 C 0.7633(5) 0.8273(4) 0.2539(4) 0.0338(17) Uani 1 1 d . . .
C41 C 0.7199(5) 0.8835(4) 0.2670(4) 0.0406(19) Uani 1 1 d . . .
H41 H 0.7009 0.9038 0.2286 0.049 Uiso 1 1 calc R . .
C42 C 0.7042(5) 0.9100(4) 0.3340(4) 0.045(2) Uani 1 1 d . . .
H42 H 0.6761 0.9492 0.3421 0.054 Uiso 1 1 calc R . .
C43 C 0.7298(5) 0.8792(4) 0.3898(4) 0.0429(19) Uani 1 1 d . . .
H43 H 0.7163 0.8959 0.4355 0.051 Uiso 1 1 calc R . .
C44 C 0.7747(5) 0.8245(4) 0.3803(4) 0.0339(16) Uani 1 1 d . . .
C45 C 0.7752(5) 0.7945(4) 0.1790(4) 0.0369(17) Uani 1 1 d . . .
H45 H 0.8355 0.7857 0.1847 0.044 Uiso 1 1 calc R . .
C46 C 0.7754(6) 0.8492(5) 0.1289(4) 0.054(2) Uani 1 1 d . . .
H46A H 0.7143 0.8533 0.1171 0.081 Uiso 1 1 calc R . .
H46B H 0.7923 0.8276 0.0843 0.081 Uiso 1 1 calc R . .
H46C H 0.8196 0.9012 0.1537 0.081 Uiso 1 1 calc R . .
C47 C 0.7016(5) 0.7155(4) 0.1419(4) 0.044(2) Uani 1 1 d . . .
H47A H 0.7023 0.6799 0.1725 0.067 Uiso 1 1 calc R . .
H47B H 0.7134 0.6934 0.0951 0.067 Uiso 1 1 calc R . .
H47C H 0.6416 0.7225 0.1341 0.067 Uiso 1 1 calc R . .
C48 C 0.7933(5) 0.7874(4) 0.4419(4) 0.0366(17) Uani 1 1 d . . .
H48 H 0.8378 0.7596 0.4311 0.044 Uiso 1 1 calc R . .
C49 C 0.7053(5) 0.7273(4) 0.4445(4) 0.046(2) Uani 1 1 d . . .
H49A H 0.6589 0.7525 0.4508 0.069 Uiso 1 1 calc R . .
H49B H 0.7167 0.7053 0.4852 0.069 Uiso 1 1 calc R . .
H49C H 0.6836 0.6853 0.3992 0.069 Uiso 1 1 calc R . .
C50 C 0.8348(6) 0.8485(5) 0.5155(4) 0.049(2) Uani 1 1 d . . .
H50A H 0.7881 0.8690 0.5317 0.073 Uiso 1 1 calc R . .
H50B H 0.8855 0.8914 0.5109 0.073 Uiso 1 1 calc R . .
H50C H 0.8575 0.8240 0.5510 0.073 Uiso 1 1 calc R . .
C51 C 1.0148(5) 0.6623(4) 0.3004(4) 0.0316(16) Uani 1 1 d . . .
C52 C 1.0431(5) 0.6730(4) 0.2362(4) 0.0359(17) Uani 1 1 d . . .
C53 C 1.1230(6) 0.6583(5) 0.2234(5) 0.050(2) Uani 1 1 d . . .
H53 H 1.1439 0.6679 0.1816 0.060 Uiso 1 1 calc R . .
C54 C 1.1719(6) 0.6302(5) 0.2698(5) 0.054(2) Uani 1 1 d . . .
H54 H 1.2258 0.6206 0.2601 0.064 Uiso 1 1 calc R . .
C55 C 1.1417(5) 0.6160(5) 0.3307(4) 0.047(2) Uani 1 1 d . . .
H55 H 1.1753 0.5963 0.3625 0.056 Uiso 1 1 calc R . .
C56 C 1.0628(5) 0.6299(4) 0.3462(4) 0.0349(17) Uani 1 1 d . . .
C57 C 0.9847(5) 0.6944(5) 0.1786(4) 0.0421(19) Uani 1 1 d . . .
H57 H 0.9590 0.7330 0.2045 0.051 Uiso 1 1 calc R . .
C58 C 1.0358(7) 0.7316(6) 0.1280(5) 0.065(3) Uani 1 1 d . . .
H58A H 1.0916 0.7738 0.1563 0.097 Uiso 1 1 calc R . .
H58B H 0.9970 0.7531 0.0998 0.097 Uiso 1 1 calc R . .
H58C H 1.0518 0.6921 0.0951 0.097 Uiso 1 1 calc R . .
C59 C 0.9034(6) 0.6213(5) 0.1346(4) 0.051(2) Uani 1 1 d . . .
H59A H 0.9263 0.5800 0.1125 0.077 Uiso 1 1 calc R . .
H59B H 0.8676 0.6348 0.0965 0.077 Uiso 1 1 calc R . .
H59C H 0.8647 0.6028 0.1668 0.077 Uiso 1 1 calc R . .
C60 C 1.0268(5) 0.6096(4) 0.4104(4) 0.0378(18) Uani 1 1 d . . .
H60 H 0.9893 0.6433 0.4249 0.045 Uiso 1 1 calc R . .
C61 C 1.1010(6) 0.6214(5) 0.4767(4) 0.052(2) Uani 1 1 d . . .
H61A H 1.1414 0.5920 0.4627 0.078 Uiso 1 1 calc R . .
H61B H 1.0723 0.6025 0.5140 0.078 Uiso 1 1 calc R . .
H61C H 1.1365 0.6771 0.4960 0.078 Uiso 1 1 calc R . .
C62 C 0.9644(6) 0.5233(4) 0.3873(4) 0.046(2) Uani 1 1 d . . .
H62A H 0.9165 0.5145 0.3448 0.069 Uiso 1 1 calc R . .
H62B H 0.9364 0.5112 0.4272 0.069 Uiso 1 1 calc R . .
H62C H 1.0007 0.4892 0.3753 0.069 Uiso 1 1 calc R . .
C63 C 1.0729(5) 0.8246(4) 0.4060(4) 0.0350(17) Uani 1 1 d . . .
H63 H 1.0611 0.7702 0.4110 0.042 Uiso 1 1 calc R . .
C64 C 1.1676(5) 0.8487(5) 0.3897(4) 0.0449(19) Uani 1 1 d . . .
H64A H 1.1849 0.9034 0.3864 0.054 Uiso 1 1 calc R . .
H64B H 1.1670 0.8147 0.3426 0.054 Uiso 1 1 calc R . .
C65 C 1.2374(5) 0.8416(5) 0.4498(4) 0.050(2) Uani 1 1 d . . .
H65A H 1.2224 0.7861 0.4505 0.059 Uiso 1 1 calc R . .
H65B H 1.2990 0.8587 0.4397 0.059 Uiso 1 1 calc R . .
C66 C 1.2378(6) 0.8908(5) 0.5231(4) 0.051(2) Uani 1 1 d . . .
H66A H 1.2814 0.8832 0.5611 0.061 Uiso 1 1 calc R . .
H66B H 1.2586 0.9468 0.5240 0.061 Uiso 1 1 calc R . .
C67 C 1.1450(6) 0.8693(6) 0.5392(4) 0.058(2) Uani 1 1 d . . .
H67A H 1.1468 0.9048 0.5858 0.070 Uiso 1 1 calc R . .
H67B H 1.1278 0.8153 0.5444 0.070 Uiso 1 1 calc R . .
C68 C 1.0723(6) 0.8742(6) 0.4798(4) 0.058(2) Uani 1 1 d . . .
H68A H 1.0113 0.8552 0.4906 0.070 Uiso 1 1 calc R . .
H68B H 1.0845 0.9293 0.4787 0.070 Uiso 1 1 calc R . .
C69 C 0.9931(5) 0.8848(4) 0.3161(4) 0.0324(16) Uani 1 1 d . . .
H69 H 0.9334 0.8652 0.2801 0.039 Uiso 1 1 calc R . .
C70 C 0.9922(5) 0.9590(4) 0.3685(4) 0.0430(19) Uani 1 1 d . . .
H70A H 1.0522 0.9846 0.4031 0.052 Uiso 1 1 calc R . .
H70B H 0.9450 0.9452 0.3965 0.052 Uiso 1 1 calc R . .
C71 C 0.9721(6) 1.0159(5) 0.3263(5) 0.050(2) Uani 1 1 d . . .
H71A H 0.9094 0.9922 0.2957 0.060 Uiso 1 1 calc R . .
H71B H 0.9752 1.0649 0.3609 0.060 Uiso 1 1 calc R . .
C72 C 1.0394(6) 1.0349(5) 0.2787(5) 0.053(2) Uani 1 1 d . . .
H72A H 1.1008 1.0653 0.3098 0.063 Uiso 1 1 calc R . .
H72B H 1.0211 1.0677 0.2493 0.063 Uiso 1 1 calc R . .
C73 C 1.0437(6) 0.9608(5) 0.2286(5) 0.054(2) Uani 1 1 d . . .
H73A H 1.0914 0.9751 0.2011 0.065 Uiso 1 1 calc R . .
H73B H 0.9844 0.9334 0.1935 0.065 Uiso 1 1 calc R . .
C74 C 1.0655(6) 0.9065(5) 0.2729(4) 0.045(2) Uani 1 1 d . . .
H74A H 1.0675 0.8585 0.2400 0.055 Uiso 1 1 calc R . .
H74B H 1.1262 0.9331 0.3063 0.055 Uiso 1 1 calc R . .
C75 C 0.5444(5) 0.4859(4) 0.4177(4) 0.0383(18) Uani 1 1 d . . .
H75A H 0.5218 0.4624 0.4555 0.046 Uiso 1 1 calc R . .
H75B H 0.5568 0.5430 0.4339 0.046 Uiso 1 1 calc R . .
C76 C 0.4733(5) 0.4510(4) 0.3470(4) 0.0391(18) Uani 1 1 d . . .
H76A H 0.4169 0.4630 0.3530 0.047 Uiso 1 1 calc R . .
H76B H 0.4580 0.3934 0.3324 0.047 Uiso 1 1 calc R . .
C77 C 0.7304(5) 0.5211(4) 0.4911(4) 0.0388(18) Uani 1 1 d . . .
C78 C 0.8057(6) 0.5835(5) 0.4958(4) 0.049(2) Uani 1 1 d . . .
H78 H 0.8175 0.5976 0.4530 0.059 Uiso 1 1 calc R . .
C79 C 0.8653(6) 0.6265(5) 0.5618(5) 0.059(2) Uani 1 1 d . . .
H79 H 0.9168 0.6699 0.5641 0.071 Uiso 1 1 calc R . .
C80 C 0.8493(6) 0.6059(5) 0.6242(5) 0.056(2) Uani 1 1 d . . .
H80 H 0.8898 0.6353 0.6694 0.067 Uiso 1 1 calc R . .
C81 C 0.7748(6) 0.5429(5) 0.6210(4) 0.053(2) Uani 1 1 d . . .
H81 H 0.7632 0.5293 0.6640 0.064 Uiso 1 1 calc R . .
C82 C 0.7169(6) 0.4997(5) 0.5546(4) 0.052(2) Uani 1 1 d . . .
H82 H 0.6672 0.4547 0.5521 0.062 Uiso 1 1 calc R . .
C83 C 0.6259(5) 0.3644(4) 0.4112(4) 0.0362(17) Uani 1 1 d . . .
C84 C 0.6853(5) 0.3256(4) 0.3929(4) 0.0408(18) Uani 1 1 d . . .
H84 H 0.7378 0.3519 0.3780 0.049 Uiso 1 1 calc R . .
C85 C 0.6706(6) 0.2491(5) 0.3956(4) 0.047(2) Uani 1 1 d . . .
H85 H 0.7124 0.2232 0.3823 0.056 Uiso 1 1 calc R . .
C86 C 0.5949(6) 0.2108(5) 0.4178(5) 0.053(2) Uani 1 1 d . . .
H86 H 0.5843 0.1583 0.4201 0.064 Uiso 1 1 calc R . .
C87 C 0.5345(6) 0.2487(5) 0.4365(5) 0.059(2) Uani 1 1 d . . .
H87 H 0.4824 0.2223 0.4519 0.071 Uiso 1 1 calc R . .
C88 C 0.5493(6) 0.3248(5) 0.4330(4) 0.048(2) Uani 1 1 d . . .
H88 H 0.5069 0.3503 0.4455 0.057 Uiso 1 1 calc R . .
C89 C 0.4279(5) 0.4377(4) 0.1953(4) 0.0388(18) Uani 1 1 d . . .
C90 C 0.4448(6) 0.3896(5) 0.1370(4) 0.051(2) Uani 1 1 d . . .
H90 H 0.5042 0.3857 0.1394 0.061 Uiso 1 1 calc R . .
C91 C 0.3770(6) 0.3474(5) 0.0756(4) 0.060(2) Uani 1 1 d . . .
H91 H 0.3900 0.3149 0.0365 0.072 Uiso 1 1 calc R . .
C92 C 0.2917(6) 0.3524(6) 0.0713(5) 0.064(3) Uani 1 1 d . . .
H92 H 0.2450 0.3234 0.0291 0.077 Uiso 1 1 calc R . .
C93 C 0.2730(5) 0.3996(6) 0.1283(5) 0.059(3) Uani 1 1 d . . .
H93 H 0.2132 0.4025 0.1254 0.071 Uiso 1 1 calc R . .
C94 C 0.3407(5) 0.4427(5) 0.1894(5) 0.047(2) Uani 1 1 d . . .
H94 H 0.3274 0.4761 0.2278 0.056 Uiso 1 1 calc R . .
C95 C 0.5395(5) 0.6414(4) 0.2570(4) 0.0397(18) Uani 1 1 d . . .
H95 H 0.5731 0.6266 0.2228 0.048 Uiso 1 1 calc R . .
C96 C 0.5012(5) 0.5884(4) 0.2941(4) 0.0363(17) Uani 1 1 d . . .
C97 C 0.4530(6) 0.6125(5) 0.3436(5) 0.052(2) Uani 1 1 d . . .
H97 H 0.4269 0.5781 0.3705 0.062 Uiso 1 1 calc R . .
C98 C 0.4418(6) 0.6852(5) 0.3550(5) 0.059(2) Uani 1 1 d . . .
H98 H 0.4073 0.6999 0.3886 0.071 Uiso 1 1 calc R . .
C99 C 0.4813(6) 0.7369(5) 0.3170(5) 0.050(2) Uani 1 1 d . . .
H99 H 0.4746 0.7871 0.3248 0.060 Uiso 1 1 calc R . .
C100 C 0.5305(5) 0.7143(5) 0.2679(4) 0.046(2) Uani 1 1 d . . .
H100 H 0.5579 0.7491 0.2418 0.056 Uiso 1 1 calc R . .
C101 C 0.086(3) 0.165(3) 0.016(2) 0.204(18) Uiso 0.50 1 d PD . .
H10D H 0.0346 0.1829 0.0257 0.305 Uiso 0.50 1 calc PR . .
H10E H 0.0636 0.1179 -0.0248 0.305 Uiso 0.50 1 calc PR . .
H10F H 0.1322 0.2060 0.0053 0.305 Uiso 0.50 1 calc PR . .
C102 C 0.126(3) 0.146(2) 0.0814(15) 0.158(13) Uiso 0.50 1 d PD . .
H10G H 0.0855 0.0939 0.0819 0.190 Uiso 0.50 1 calc PR . .
H10H H 0.1851 0.1395 0.0748 0.190 Uiso 0.50 1 calc PR . .
C103 C 0.1425(16) 0.1988(15) 0.1531(12) 0.099(8) Uiso 0.50 1 d PD . .
H10I H 0.0847 0.1895 0.1700 0.119 Uiso 0.50 1 calc PR . .
H10J H 0.1628 0.2535 0.1499 0.119 Uiso 0.50 1 calc PR . .
C104 C 0.2122(16) 0.1881(14) 0.2062(11) 0.096(7) Uiso 0.50 1 d PD . .
H10K H 0.1860 0.1395 0.2204 0.115 Uiso 0.50 1 calc PR . .
H10L H 0.2645 0.1836 0.1847 0.115 Uiso 0.50 1 calc PR . .
C105 C 0.2416(16) 0.2533(13) 0.2675(11) 0.090(7) Uiso 0.50 1 d PD . .
H10M H 0.1878 0.2680 0.2774 0.108 Uiso 0.50 1 calc PR . .
H10N H 0.2837 0.2978 0.2558 0.108 Uiso 0.50 1 calc PR . .
C106 C 0.2878(16) 0.2416(15) 0.3337(12) 0.094(7) Uiso 0.50 1 d PD . .
H10O H 0.3210 0.2051 0.3209 0.141 Uiso 0.50 1 calc PR . .
H10P H 0.2424 0.2200 0.3601 0.141 Uiso 0.50 1 calc PR . .
H10Q H 0.3308 0.2919 0.3644 0.141 Uiso 0.50 1 calc PR . .
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'
P P 0.1023 0.0942 '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
P1 Pt1 P2 90.60(7) . . ?
P1 Pt1 In1 115.24(6) . . ?
P2 Pt1 In1 119.83(6) . . ?
P1 Pt1 In2 119.19(6) . . ?
P2 Pt1 In2 116.22(6) . . ?
In1 Pt1 In2 97.59(3) . . ?
N2 In1 N1 59.33(19) . . ?
N2 In1 Pt1 147.62(14) . . ?
N1 In1 Pt1 150.91(13) . . ?
N5 In2 N4 58.9(2) . . ?
N5 In2 Pt1 148.22(14) . . ?
N4 In2 Pt1 149.66(14) . . ?
C77 P1 C83 101.0(3) . . ?
C77 P1 C75 101.7(3) . . ?
C83 P1 C75 101.7(3) . . ?
C77 P1 Pt1 126.2(3) . . ?
C83 P1 Pt1 119.5(2) . . ?
C75 P1 Pt1 102.8(2) . . ?
C96 P2 C89 100.5(3) . . ?
C96 P2 C76 102.6(3) . . ?
C89 P2 C76 101.2(3) . . ?
C96 P2 Pt1 119.4(2) . . ?
C89 P2 Pt1 126.7(3) . . ?
C76 P2 Pt1 102.6(2) . . ?
C1 N1 C2 127.8(5) . . ?
C1 N1 In1 92.6(4) . . ?
C2 N1 In1 131.7(4) . . ?
C1 N2 C14 122.4(6) . . ?
C1 N2 In1 95.8(4) . . ?
C14 N2 In1 134.1(4) . . ?
C1 N3 C26 119.5(5) . . ?
C1 N3 C32 118.4(6) . . ?
C26 N3 C32 122.0(5) . . ?
C38 N4 C39 127.7(5) . . ?
C38 N4 In2 92.6(4) . . ?
C39 N4 In2 131.3(4) . . ?
C38 N5 C51 124.1(5) . . ?
C38 N5 In2 95.4(4) . . ?
C51 N5 In2 134.4(4) . . ?
C38 N6 C69 118.8(5) . . ?
C38 N6 C63 118.1(5) . . ?
C69 N6 C63 123.2(5) . . ?
N1 C1 N2 111.4(6) . . ?
N1 C1 N3 126.0(6) . . ?
N2 C1 N3 122.6(6) . . ?
C7 C2 C3 120.6(6) . . ?
C7 C2 N1 118.4(6) . . ?
C3 C2 N1 120.8(6) . . ?
C4 C3 C2 118.6(7) . . ?
C4 C3 C8 118.5(7) . . ?
C2 C3 C8 122.3(6) . . ?
C5 C4 C3 120.8(8) . . ?
C6 C5 C4 120.7(7) . . ?
C5 C6 C7 120.5(7) . . ?
C2 C7 C6 118.7(7) . . ?
C2 C7 C11 120.6(6) . . ?
C6 C7 C11 120.7(6) . . ?
C3 C8 C10 113.7(7) . . ?
C3 C8 C9 111.1(6) . . ?
C10 C8 C9 108.7(7) . . ?
C13 C11 C7 114.6(6) . . ?
C13 C11 C12 110.4(6) . . ?
C7 C11 C12 109.4(6) . . ?
C19 C14 C15 120.7(6) . . ?
C19 C14 N2 121.3(6) . . ?
C15 C14 N2 117.7(6) . . ?
C14 C15 C16 117.7(6) . . ?
C14 C15 C20 121.9(6) . . ?
C16 C15 C20 120.3(6) . . ?
C17 C16 C15 121.2(7) . . ?
C16 C17 C18 120.2(7) . . ?
C17 C18 C19 121.0(7) . . ?
C18 C19 C14 118.8(6) . . ?
C18 C19 C23 119.9(6) . . ?
C14 C19 C23 121.2(6) . . ?
C15 C20 C21 110.1(6) . . ?
C15 C20 C22 113.7(7) . . ?
C21 C20 C22 109.0(6) . . ?
C25 C23 C19 114.3(6) . . ?
C25 C23 C24 110.1(7) . . ?
C19 C23 C24 110.0(6) . . ?
N3 C26 C31 114.6(7) . . ?
N3 C26 C27 116.8(7) . . ?
C31 C26 C27 108.6(7) . . ?
C26 C27 C28 110.4(8) . . ?
C29 C28 C27 111.0(9) . . ?
C28 C29 C30 110.4(10) . . ?
C29 C30 C31 111.4(9) . . ?
C26 C31 C30 109.7(8) . . ?
N3 C32 C33 113.4(6) . . ?
N3 C32 C37 115.9(6) . . ?
C33 C32 C37 111.0(6) . . ?
C32 C33 C34 111.9(7) . . ?
C35 C34 C33 111.1(7) . . ?
C36 C35 C34 110.7(7) . . ?
C35 C36 C37 111.7(7) . . ?
C32 C37 C36 110.3(7) . . ?
N4 C38 N5 112.1(6) . . ?
N4 C38 N6 125.5(6) . . ?
N5 C38 N6 122.4(6) . . ?
C44 C39 N4 122.7(6) . . ?
C44 C39 C40 120.1(7) . . ?
N4 C39 C40 117.1(6) . . ?
C41 C40 C39 118.3(7) . . ?
C41 C40 C45 121.4(6) . . ?
C39 C40 C45 120.3(6) . . ?
C42 C41 C40 121.5(7) . . ?
C41 C42 C43 119.5(7) . . ?
C42 C43 C44 121.3(8) . . ?
C43 C44 C39 119.1(7) . . ?
C43 C44 C48 118.6(7) . . ?
C39 C44 C48 121.9(6) . . ?
C40 C45 C47 110.9(6) . . ?
C40 C45 C46 114.3(6) . . ?
C47 C45 C46 108.9(6) . . ?
C49 C48 C44 109.5(6) . . ?
C49 C48 C50 110.4(6) . . ?
C44 C48 C50 112.4(6) . . ?
C52 C51 C56 119.0(7) . . ?
C52 C51 N5 120.6(6) . . ?
C56 C51 N5 120.2(6) . . ?
C53 C52 C51 119.0(7) . . ?
C53 C52 C57 119.7(7) . . ?
C51 C52 C57 121.2(6) . . ?
C54 C53 C52 121.6(8) . . ?
C53 C54 C55 119.4(8) . . ?
C54 C55 C56 121.3(7) . . ?
C55 C56 C51 119.4(7) . . ?
C55 C56 C60 121.1(6) . . ?
C51 C56 C60 119.5(6) . . ?
C58 C57 C52 114.9(7) . . ?
C58 C57 C59 110.0(7) . . ?
C52 C57 C59 109.8(6) . . ?
C56 C60 C61 114.5(6) . . ?
C56 C60 C62 109.1(6) . . ?
C61 C60 C62 108.2(6) . . ?
N6 C63 C64 115.6(6) . . ?
N6 C63 C68 112.7(6) . . ?
C64 C63 C68 111.0(6) . . ?
C63 C64 C65 109.8(6) . . ?
C66 C65 C64 111.2(7) . . ?
C67 C66 C65 111.2(7) . . ?
C66 C67 C68 112.4(7) . . ?
C63 C68 C67 110.3(7) . . ?
N6 C69 C74 114.2(6) . . ?
N6 C69 C70 116.3(6) . . ?
C74 C69 C70 109.4(6) . . ?
C69 C70 C71 110.1(6) . . ?
C72 C71 C70 111.6(7) . . ?
C71 C72 C73 111.8(7) . . ?
C72 C73 C74 110.1(7) . . ?
C69 C74 C73 110.2(7) . . ?
C76 C75 P1 108.8(5) . . ?
C75 C76 P2 108.7(5) . . ?
C78 C77 C82 118.0(7) . . ?
C78 C77 P1 120.9(6) . . ?
C82 C77 P1 121.1(6) . . ?
C77 C78 C79 121.5(8) . . ?
C80 C79 C78 119.6(8) . . ?
C81 C80 C79 120.2(8) . . ?
C80 C81 C82 119.5(8) . . ?
C81 C82 C77 121.1(8) . . ?
C84 C83 C88 118.3(7) . . ?
C84 C83 P1 117.9(5) . . ?
C88 C83 P1 123.8(6) . . ?
C83 C84 C85 121.8(7) . . ?
C86 C85 C84 119.3(8) . . ?
C87 C86 C85 119.8(8) . . ?
C86 C87 C88 120.4(8) . . ?
C87 C88 C83 120.3(8) . . ?
C94 C89 C90 117.8(7) . . ?
C94 C89 P2 122.1(6) . . ?
C90 C89 P2 120.2(6) . . ?
C91 C90 C89 121.3(8) . . ?
C92 C91 C90 120.1(9) . . ?
C91 C92 C93 119.8(8) . . ?
C92 C93 C94 120.5(8) . . ?
C93 C94 C89 120.5(9) . . ?
C100 C95 C96 122.5(8) . . ?
C97 C96 C95 116.8(7) . . ?
C97 C96 P2 124.6(6) . . ?
C95 C96 P2 118.5(6) . . ?
C98 C97 C96 121.9(8) . . ?
C97 C98 C99 119.6(9) . . ?
C100 C99 C98 119.3(8) . . ?
C95 C100 C99 119.8(8) . . ?
C103 C102 C101 120(3) . . ?
C102 C103 C104 112(2) . . ?
C105 C104 C103 108.4(19) . . ?
C104 C105 C106 115(2) . . ?
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 P1 2.2489(18) . ?
Pt1 P2 2.2500(19) . ?
Pt1 In1 2.5329(10) . ?
Pt1 In2 2.5341(11) . ?
In1 N2 2.231(5) . ?
In1 N1 2.306(5) . ?
In2 N5 2.237(5) . ?
In2 N4 2.302(5) . ?
P1 C77 1.839(7) . ?
P1 C83 1.850(7) . ?
P1 C75 1.863(7) . ?
P2 C96 1.839(8) . ?
P2 C89 1.842(8) . ?
P2 C76 1.862(7) . ?
N1 C1 1.357(8) . ?
N1 C2 1.428(8) . ?
N2 C1 1.362(8) . ?
N2 C14 1.414(8) . ?
N3 C1 1.372(9) . ?
N3 C26 1.471(9) . ?
N3 C32 1.492(8) . ?
N4 C38 1.344(8) . ?
N4 C39 1.420(9) . ?
N5 C38 1.347(8) . ?
N5 C51 1.419(9) . ?
N6 C38 1.388(8) . ?
N6 C69 1.476(8) . ?
N6 C63 1.497(8) . ?
C2 C7 1.396(10) . ?
C2 C3 1.400(10) . ?
C3 C4 1.389(10) . ?
C3 C8 1.519(11) . ?
C4 C5 1.373(12) . ?
C5 C6 1.364(12) . ?
C6 C7 1.401(10) . ?
C7 C11 1.528(10) . ?
C8 C10 1.533(10) . ?
C8 C9 1.543(12) . ?
C11 C13 1.524(10) . ?
C11 C12 1.530(10) . ?
C14 C19 1.411(10) . ?
C14 C15 1.414(9) . ?
C15 C16 1.419(10) . ?
C15 C20 1.509(10) . ?
C16 C17 1.377(11) . ?
C17 C18 1.386(10) . ?
C18 C19 1.397(10) . ?
C19 C23 1.526(10) . ?
C20 C21 1.523(10) . ?
C20 C22 1.541(10) . ?
C23 C25 1.522(11) . ?
C23 C24 1.537(11) . ?
C26 C31 1.509(12) . ?
C26 C27 1.512(11) . ?
C27 C28 1.522(12) . ?
C28 C29 1.476(16) . ?
C29 C30 1.502(16) . ?
C30 C31 1.559(13) . ?
C32 C33 1.497(11) . ?
C32 C37 1.508(10) . ?
C33 C34 1.535(10) . ?
C34 C35 1.501(12) . ?
C35 C36 1.490(11) . ?
C36 C37 1.549(10) . ?
C39 C44 1.399(10) . ?
C39 C40 1.423(9) . ?
C40 C41 1.400(10) . ?
C40 C45 1.509(10) . ?
C41 C42 1.371(11) . ?
C42 C43 1.389(11) . ?
C43 C44 1.389(10) . ?
C44 C48 1.533(10) . ?
C45 C47 1.526(10) . ?
C45 C46 1.546(10) . ?
C48 C49 1.521(11) . ?
C48 C50 1.534(10) . ?
C51 C52 1.416(10) . ?
C51 C56 1.417(9) . ?
C52 C53 1.402(11) . ?
C52 C57 1.530(10) . ?
C53 C54 1.378(11) . ?
C54 C55 1.384(11) . ?
C55 C56 1.396(11) . ?
C56 C60 1.516(10) . ?
C57 C58 1.512(11) . ?
C57 C59 1.542(11) . ?
C60 C61 1.533(10) . ?
C60 C62 1.544(10) . ?
C63 C64 1.525(10) . ?
C63 C68 1.529(11) . ?
C64 C65 1.532(10) . ?
C65 C66 1.515(11) . ?
C66 C67 1.494(12) . ?
C67 C68 1.534(10) . ?
C69 C74 1.523(10) . ?
C69 C70 1.530(10) . ?
C70 C71 1.538(10) . ?
C71 C72 1.518(11) . ?
C72 C73 1.528(12) . ?
C73 C74 1.533(10) . ?
C75 C76 1.516(10) . ?
C77 C78 1.371(11) . ?
C77 C82 1.400(10) . ?
C78 C79 1.389(11) . ?
C79 C80 1.380(12) . ?
C80 C81 1.377(12) . ?
C81 C82 1.385(11) . ?
C83 C84 1.374(11) . ?
C83 C88 1.392(10) . ?
C84 C85 1.383(10) . ?
C85 C86 1.379(11) . ?
C86 C87 1.377(12) . ?
C87 C88 1.381(11) . ?
C89 C94 1.387(10) . ?
C89 C90 1.392(11) . ?
C90 C91 1.381(11) . ?
C91 C92 1.360(13) . ?
C92 C93 1.380(14) . ?
C93 C94 1.381(11) . ?
C95 C100 1.373(11) . ?
C95 C96 1.390(10) . ?
C96 C97 1.387(11) . ?
C97 C98 1.384(12) . ?
C98 C99 1.393(12) . ?
C99 C100 1.381(11) . ?
C101 C102 1.483(19) . ?
C102 C103 1.459(18) . ?
C103 C104 1.475(17) . ?
C104 C105 1.410(17) . ?
C105 C106 1.468(17) . ?
