#------------------------------------------------------------------------------
#$Date: 2018-08-11 19:30:11 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/09/7000901.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_7000901
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            'C129 H184 F8 In3 N9 O3 Pt'
_chemical_formula_weight         2600.40
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 105.309(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   28.285(5)
_cell_length_b                   30.155(5)
_cell_length_c                   15.337(5)
_cell_measurement_temperature    150(2)
_cell_volume                     12617(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21694
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.711
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_correction_T_min  0.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav, Blessing (1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5368
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         11096
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0308
_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)+(0.0118P)²+25.2685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0572
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                9184
_reflns_number_total             11096
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B821984B.txt
_cod_data_source_block           compound11
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7000901
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.0000 0.213471(6) 0.7500 0.01878(5) Uani 1 2 d S . .
In1 In 0.083144(8) 0.179749(8) 0.754702(16) 0.02107(7) Uani 1 1 d . . .
F1 F 0.04681(6) 0.16494(6) 0.59169(12) 0.0308(5) Uani 1 1 d . . .
O1 O -0.06864(10) 0.20203(10) 0.31837(17) 0.0505(8) Uani 1 1 d . . .
N1 N 0.12638(9) 0.11652(9) 0.77734(17) 0.0203(6) Uani 1 1 d . . .
C1 C 0.15823(10) 0.13119(11) 0.7319(2) 0.0203(7) Uani 1 1 d . . .
In2 In 0.0000 0.300774(11) 0.7500 0.02198(8) Uani 1 2 d S . .
F2 F 0.01702(8) 0.15938(8) 0.41781(13) 0.0485(6) Uani 1 1 d . . .
O2 O 0.0000 0.3316(2) 0.2500 0.113(2) Uani 1 2 d SDU . .
N2 N 0.15071(9) 0.17464(8) 0.70948(17) 0.0193(6) Uani 1 1 d . . .
C2 C 0.11432(11) 0.07206(11) 0.7949(2) 0.0226(8) Uani 1 1 d . . .
F3 F -0.12043(7) 0.24823(8) 0.41625(14) 0.0478(6) Uani 1 1 d . . .
N3 N 0.19325(9) 0.10599(9) 0.70702(18) 0.0219(6) Uani 1 1 d . . .
C3 C 0.13057(11) 0.05683(11) 0.8854(2) 0.0252(8) Uani 1 1 d . . .
F4 F -0.09157(7) 0.25500(7) 0.59242(13) 0.0358(5) Uani 1 1 d . . .
N4 N 0.03402(9) 0.36631(8) 0.72598(17) 0.0193(6) Uani 1 1 d . . .
C4 C 0.11866(12) 0.01372(12) 0.9045(3) 0.0336(9) Uani 1 1 d . . .
H4 H 0.1307 0.0024 0.9641 0.040 Uiso 1 1 calc R . .
N5 N 0.0000 0.43734(12) 0.7500 0.0202(9) Uani 1 2 d S . .
C5 C 0.08951(13) -0.01296(12) 0.8379(3) 0.0376(10) Uani 1 1 d . . .
H5 H 0.0819 -0.0423 0.8520 0.045 Uiso 1 1 calc R . .
C6 C 0.07175(13) 0.00306(12) 0.7521(3) 0.0331(9) Uani 1 1 d . . .
H6 H 0.0510 -0.0152 0.7076 0.040 Uiso 1 1 calc R . .
C7 C 0.08330(11) 0.04569(11) 0.7282(2) 0.0259(8) Uani 1 1 d . . .
C8 C 0.15877(12) 0.08709(12) 0.9598(2) 0.0298(8) Uani 1 1 d . . .
H8 H 0.1803 0.1065 0.9337 0.036 Uiso 1 1 calc R . .
C9 C 0.19164(13) 0.06257(14) 1.0410(3) 0.0451(11) Uani 1 1 d . . .
H9A H 0.1712 0.0465 1.0730 0.068 Uiso 1 1 calc R . .
H9B H 0.2122 0.0840 1.0820 0.068 Uiso 1 1 calc R . .
H9C H 0.2125 0.0415 1.0198 0.068 Uiso 1 1 calc R . .
C10 C 0.12353(13) 0.11714(13) 0.9928(2) 0.0390(10) Uani 1 1 d . . .
H10A H 0.1028 0.1334 0.9413 0.058 Uiso 1 1 calc R . .
H10B H 0.1423 0.1383 1.0371 0.058 Uiso 1 1 calc R . .
H10C H 0.1029 0.0991 1.0210 0.058 Uiso 1 1 calc R . .
C11 C 0.06019(12) 0.06235(12) 0.6337(2) 0.0285(8) Uani 1 1 d . . .
H11 H 0.0788 0.0892 0.6235 0.034 Uiso 1 1 calc R . .
C12 C 0.06214(14) 0.02845(14) 0.5610(3) 0.0460(11) Uani 1 1 d . . .
H12A H 0.0959 0.0181 0.5700 0.069 Uiso 1 1 calc R . .
H12B H 0.0508 0.0422 0.5013 0.069 Uiso 1 1 calc R . .
H12C H 0.0409 0.0032 0.5650 0.069 Uiso 1 1 calc R . .
C13 C 0.00678(12) 0.07634(13) 0.6245(3) 0.0371(9) Uani 1 1 d . . .
H13A H -0.0120 0.0508 0.6364 0.056 Uiso 1 1 calc R . .
H13B H -0.0078 0.0873 0.5631 0.056 Uiso 1 1 calc R . .
H13C H 0.0061 0.0999 0.6682 0.056 Uiso 1 1 calc R . .
C14 C 0.18791(11) 0.20581(10) 0.7041(2) 0.0204(7) Uani 1 1 d . . .
C15 C 0.22959(11) 0.21148(11) 0.7780(2) 0.0238(8) Uani 1 1 d . . .
C16 C 0.26396(12) 0.24368(12) 0.7703(3) 0.0343(9) Uani 1 1 d . . .
H16 H 0.2925 0.2478 0.8187 0.041 Uiso 1 1 calc R . .
C17 C 0.25707(14) 0.26957(13) 0.6936(3) 0.0393(10) Uani 1 1 d . . .
H17 H 0.2811 0.2909 0.6891 0.047 Uiso 1 1 calc R . .
C18 C 0.21569(13) 0.26453(12) 0.6240(2) 0.0342(9) Uani 1 1 d . . .
H18 H 0.2109 0.2832 0.5725 0.041 Uiso 1 1 calc R . .
C19 C 0.18035(11) 0.23278(11) 0.6269(2) 0.0244(8) Uani 1 1 d . . .
C20 C 0.23615(12) 0.18669(11) 0.8665(2) 0.0268(8) Uani 1 1 d . . .
H20 H 0.2234 0.1559 0.8514 0.032 Uiso 1 1 calc R . .
C21 C 0.28968(12) 0.18271(13) 0.9228(2) 0.0358(9) Uani 1 1 d . . .
H21A H 0.3099 0.1716 0.8846 0.054 Uiso 1 1 calc R . .
H21B H 0.2916 0.1621 0.9731 0.054 Uiso 1 1 calc R . .
H21C H 0.3017 0.2119 0.9468 0.054 Uiso 1 1 calc R . .
C22 C 0.20498(13) 0.20843(13) 0.9232(2) 0.0370(9) Uani 1 1 d . . .
H22A H 0.2159 0.2390 0.9375 0.055 Uiso 1 1 calc R . .
H22B H 0.2087 0.1917 0.9794 0.055 Uiso 1 1 calc R . .
H22C H 0.1705 0.2084 0.8887 0.055 Uiso 1 1 calc R . .
C23 C 0.13397(12) 0.22902(11) 0.5498(2) 0.0269(8) Uani 1 1 d . . .
H23 H 0.1204 0.1985 0.5514 0.032 Uiso 1 1 calc R . .
C24 C 0.14314(14) 0.23589(14) 0.4561(2) 0.0429(10) Uani 1 1 d . . .
H24A H 0.1520 0.2669 0.4496 0.064 Uiso 1 1 calc R . .
H24B H 0.1133 0.2286 0.4090 0.064 Uiso 1 1 calc R . .
H24C H 0.1699 0.2166 0.4500 0.064 Uiso 1 1 calc R . .
C25 C 0.09535(13) 0.26233(12) 0.5622(3) 0.0368(9) Uani 1 1 d . . .
H25A H 0.0871 0.2562 0.6192 0.055 Uiso 1 1 calc R . .
H25B H 0.0658 0.2596 0.5118 0.055 Uiso 1 1 calc R . .
H25C H 0.1084 0.2925 0.5636 0.055 Uiso 1 1 calc R . .
C26 C 0.21619(11) 0.06806(11) 0.7647(2) 0.0250(8) Uani 1 1 d . . .
H26 H 0.2008 0.0679 0.8164 0.030 Uiso 1 1 calc R . .
C27 C 0.20649(13) 0.02203(12) 0.7227(3) 0.0375(10) Uani 1 1 d . . .
H27A H 0.1711 0.0186 0.6929 0.045 Uiso 1 1 calc R . .
H27B H 0.2248 0.0183 0.6764 0.045 Uiso 1 1 calc R . .
C28 C 0.22262(14) -0.01314(13) 0.7959(3) 0.0468(11) Uani 1 1 d . . .
H28A H 0.2027 -0.0105 0.8398 0.056 Uiso 1 1 calc R . .
H28B H 0.2170 -0.0430 0.7681 0.056 Uiso 1 1 calc R . .
C29 C 0.27633(14) -0.00813(13) 0.8449(3) 0.0507(12) Uani 1 1 d . . .
H29A H 0.2965 -0.0151 0.8029 0.061 Uiso 1 1 calc R . .
H29B H 0.2849 -0.0296 0.8956 0.061 Uiso 1 1 calc R . .
C30 C 0.28813(14) 0.03868(13) 0.8817(3) 0.0428(10) Uani 1 1 d . . .
H30A H 0.2718 0.0441 0.9304 0.051 Uiso 1 1 calc R . .
H30B H 0.3239 0.0415 0.9081 0.051 Uiso 1 1 calc R . .
C31 C 0.27134(12) 0.07337(12) 0.8080(2) 0.0304(9) Uani 1 1 d . . .
H31A H 0.2895 0.0697 0.7615 0.036 Uiso 1 1 calc R . .
H31B H 0.2782 0.1034 0.8343 0.036 Uiso 1 1 calc R . .
C32 C 0.20466(12) 0.11741(12) 0.6203(2) 0.0274(8) Uani 1 1 d . . .
H32 H 0.1878 0.1464 0.6026 0.033 Uiso 1 1 calc R . .
C33 C 0.18182(15) 0.08688(14) 0.5422(3) 0.0474(11) Uani 1 1 d . . .
H33A H 0.1466 0.0827 0.5387 0.057 Uiso 1 1 calc R . .
H33B H 0.1980 0.0575 0.5527 0.057 Uiso 1 1 calc R . .
C34 C 0.18708(15) 0.10600(14) 0.4534(3) 0.0467(11) Uani 1 1 d . . .
H34A H 0.1747 0.0841 0.4045 0.056 Uiso 1 1 calc R . .
H34B H 0.1666 0.1330 0.4386 0.056 Uiso 1 1 calc R . .
C35 C 0.23950(15) 0.11756(14) 0.4568(3) 0.0464(11) Uani 1 1 d . . .
H35A H 0.2586 0.0899 0.4593 0.056 Uiso 1 1 calc R . .
H35B H 0.2402 0.1335 0.4007 0.056 Uiso 1 1 calc R . .
C36 C 0.26338(14) 0.14603(14) 0.5372(3) 0.0448(11) Uani 1 1 d . . .
H36A H 0.2485 0.1760 0.5284 0.054 Uiso 1 1 calc R . .
H36B H 0.2986 0.1492 0.5405 0.054 Uiso 1 1 calc R . .
C37 C 0.25817(12) 0.12711(13) 0.6260(2) 0.0336(9) Uani 1 1 d . . .
H37A H 0.2712 0.1486 0.6753 0.040 Uiso 1 1 calc R . .
H37B H 0.2775 0.0994 0.6401 0.040 Uiso 1 1 calc R . .
C38 C 0.0000 0.39123(15) 0.7500 0.0210(10) Uani 1 2 d S . .
C39 C 0.06145(11) 0.37867(10) 0.6638(2) 0.0220(7) Uani 1 1 d . . .
C40 C 0.11319(11) 0.37854(11) 0.6940(2) 0.0243(8) Uani 1 1 d . . .
C41 C 0.14035(13) 0.38807(12) 0.6330(3) 0.0326(9) Uani 1 1 d . . .
H41 H 0.1751 0.3882 0.6530 0.039 Uiso 1 1 calc R . .
C42 C 0.11752(13) 0.39731(12) 0.5437(3) 0.0367(9) Uani 1 1 d . . .
H42 H 0.1366 0.4041 0.5029 0.044 Uiso 1 1 calc R . .
C43 C 0.06733(13) 0.39666(12) 0.5135(2) 0.0329(9) Uani 1 1 d . . .
H43 H 0.0521 0.4029 0.4517 0.039 Uiso 1 1 calc R . .
C44 C 0.03814(12) 0.38694(11) 0.5719(2) 0.0257(8) Uani 1 1 d . . .
C45 C 0.13899(11) 0.36617(11) 0.7913(2) 0.0266(8) Uani 1 1 d . . .
H45 H 0.1170 0.3747 0.8300 0.032 Uiso 1 1 calc R . .
C46 C 0.14680(13) 0.31591(12) 0.7995(3) 0.0356(9) Uani 1 1 d . . .
H46A H 0.1151 0.3008 0.7790 0.053 Uiso 1 1 calc R . .
H46B H 0.1621 0.3082 0.8627 0.053 Uiso 1 1 calc R . .
H46C H 0.1682 0.3066 0.7620 0.053 Uiso 1 1 calc R . .
C47 C 0.18807(12) 0.38987(13) 0.8282(3) 0.0414(10) Uani 1 1 d . . .
H47A H 0.2121 0.3782 0.7983 0.062 Uiso 1 1 calc R . .
H47B H 0.1998 0.3848 0.8935 0.062 Uiso 1 1 calc R . .
H47C H 0.1838 0.4218 0.8163 0.062 Uiso 1 1 calc R . .
C48 C -0.01684(12) 0.38049(12) 0.5341(2) 0.0290(8) Uani 1 1 d . . .
H48 H -0.0330 0.3880 0.5828 0.035 Uiso 1 1 calc R . .
C49 C -0.02758(14) 0.33169(12) 0.5083(3) 0.0414(10) Uani 1 1 d . . .
H49A H -0.0136 0.3241 0.4583 0.062 Uiso 1 1 calc R . .
H49B H -0.0631 0.3269 0.4897 0.062 Uiso 1 1 calc R . .
H49C H -0.0129 0.3129 0.5606 0.062 Uiso 1 1 calc R . .
C50 C -0.03946(13) 0.40980(13) 0.4520(2) 0.0384(9) Uani 1 1 d . . .
H50A H -0.0286 0.4405 0.4654 0.058 Uiso 1 1 calc R . .
H50B H -0.0753 0.4084 0.4384 0.058 Uiso 1 1 calc R . .
H50C H -0.0289 0.3992 0.3997 0.058 Uiso 1 1 calc R . .
C51 C 0.04798(11) 0.46067(11) 0.7731(2) 0.0245(8) Uani 1 1 d . . .
H51 H 0.0732 0.4372 0.7750 0.029 Uiso 1 1 calc R . .
C52 C 0.05522(12) 0.49477(12) 0.7044(3) 0.0332(9) Uani 1 1 d . . .
H52A H 0.0334 0.5205 0.7036 0.040 Uiso 1 1 calc R . .
H52B H 0.0468 0.4815 0.6432 0.040 Uiso 1 1 calc R . .
C53 C 0.10855(14) 0.50997(14) 0.7301(3) 0.0485(11) Uani 1 1 d . . .
H53A H 0.1299 0.4845 0.7257 0.058 Uiso 1 1 calc R . .
H53B H 0.1130 0.5328 0.6866 0.058 Uiso 1 1 calc R . .
C54 C 0.12432(14) 0.52896(14) 0.8253(3) 0.0517(12) Uani 1 1 d . . .
H54A H 0.1597 0.5360 0.8408 0.062 Uiso 1 1 calc R . .
H54B H 0.1062 0.5568 0.8277 0.062 Uiso 1 1 calc R . .
C55 C 0.11448(13) 0.49643(13) 0.8938(3) 0.0429(11) Uani 1 1 d . . .
H55A H 0.1222 0.5106 0.9542 0.052 Uiso 1 1 calc R . .
H55B H 0.1360 0.4702 0.8975 0.052 Uiso 1 1 calc R . .
C56 C 0.06104(13) 0.48159(12) 0.8676(2) 0.0347(9) Uani 1 1 d . . .
H56A H 0.0395 0.5074 0.8681 0.042 Uiso 1 1 calc R . .
H56B H 0.0556 0.4597 0.9122 0.042 Uiso 1 1 calc R . .
C57 C -0.02077(11) 0.21013(11) 0.6072(2) 0.0233(8) Uani 1 1 d . . .
C58 C 0.00342(11) 0.18676(11) 0.5534(2) 0.0255(8) Uani 1 1 d . . .
C59 C -0.01117(12) 0.18294(12) 0.4610(2) 0.0323(9) Uani 1 1 d . . .
C60 C -0.05334(13) 0.20317(13) 0.4107(2) 0.0337(9) Uani 1 1 d . . .
C61 C -0.07869(12) 0.22703(12) 0.4604(2) 0.0318(9) Uani 1 1 d . . .
C62 C -0.06261(12) 0.23011(11) 0.5531(2) 0.0266(8) Uani 1 1 d . . .
C63 C -0.0887(3) 0.1628(2) 0.2802(4) 0.125(2) Uani 1 1 d U . .
H63A H -0.0660 0.1384 0.3034 0.187 Uiso 1 1 calc R . .
H63B H -0.0948 0.1645 0.2143 0.187 Uiso 1 1 calc R . .
H63C H -0.1197 0.1574 0.2956 0.187 Uiso 1 1 calc R . .
C64 C -0.0434(3) 0.3081(2) 0.2336(5) 0.128(3) Uani 1 1 d DU . .
H64A H -0.0417 0.2882 0.2856 0.153 Uiso 1 1 calc R . .
H64B H -0.0460 0.2892 0.1798 0.153 Uiso 1 1 calc R . .
C65 C -0.0880(3) 0.3344(3) 0.2187(5) 0.141(3) Uani 1 1 d DU . .
H65A H -0.0842 0.3563 0.2671 0.212 Uiso 1 1 calc R . .
H65B H -0.1157 0.3148 0.2185 0.212 Uiso 1 1 calc R . .
H65C H -0.0940 0.3496 0.1603 0.212 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C57 Pt1 C57 174.54(18) 2_556 . ?
C57 Pt1 In1 90.70(8) 2_556 2_556 ?
C57 Pt1 In1 87.12(8) . 2_556 ?
C57 Pt1 In1 87.12(8) 2_556 . ?
C57 Pt1 In1 90.70(8) . . ?
In1 Pt1 In1 132.911(17) 2_556 . ?
C57 Pt1 In2 92.73(9) 2_556 . ?
C57 Pt1 In2 92.73(9) . . ?
In1 Pt1 In2 113.544(9) 2_556 . ?
In1 Pt1 In2 113.544(9) . . ?
N2 In1 N1 60.43(9) . . ?
N2 In1 F1 80.40(8) . . ?
N1 In1 F1 93.84(8) . . ?
N2 In1 Pt1 152.92(7) . . ?
N1 In1 Pt1 143.72(6) . . ?
F1 In1 Pt1 84.81(4) . . ?
N2 In1 C1 30.35(9) . . ?
N1 In1 C1 30.26(9) . . ?
F1 In1 C1 84.36(8) . . ?
Pt1 In1 C1 166.77(7) . . ?
C58 F1 In1 115.36(18) . . ?
C60 O1 C63 116.4(4) . . ?
C1 N1 C2 129.1(3) . . ?
C1 N1 In1 93.00(19) . . ?
C2 N1 In1 132.89(19) . . ?
N1 C1 N2 111.4(3) . . ?
N1 C1 N3 126.0(3) . . ?
N2 C1 N3 122.5(3) . . ?
N1 C1 In1 56.74(16) . . ?
N2 C1 In1 55.14(15) . . ?
N3 C1 In1 171.7(2) . . ?
N4 In2 N4 58.98(13) . 2_556 ?
N4 In2 Pt1 150.51(6) . . ?
N4 In2 Pt1 150.51(6) 2_556 . ?
C64 O2 C64 118.4(9) . 2 ?
C1 N2 C14 125.5(3) . . ?
C1 N2 In1 94.52(18) . . ?
C14 N2 In1 133.2(2) . . ?
C7 C2 C3 120.5(3) . . ?
C7 C2 N1 121.9(3) . . ?
C3 C2 N1 117.2(3) . . ?
C1 N3 C26 119.5(3) . . ?
C1 N3 C32 117.4(3) . . ?
C26 N3 C32 123.1(3) . . ?
C4 C3 C2 118.3(3) . . ?
C4 C3 C8 120.8(3) . . ?
C2 C3 C8 120.9(3) . . ?
C38 N4 C39 126.2(3) . . ?
C38 N4 In2 94.4(2) . . ?
C39 N4 In2 131.6(2) . . ?
C5 C4 C3 121.0(3) . . ?
C38 N5 C51 118.25(18) . . ?
C38 N5 C51 118.25(18) . 2_556 ?
C51 N5 C51 123.5(3) . 2_556 ?
C6 C5 C4 120.0(3) . . ?
C5 C6 C7 121.7(3) . . ?
C6 C7 C2 118.3(3) . . ?
C6 C7 C11 119.0(3) . . ?
C2 C7 C11 122.6(3) . . ?
C3 C8 C10 110.3(3) . . ?
C3 C8 C9 114.1(3) . . ?
C10 C8 C9 109.0(3) . . ?
C7 C11 C12 112.9(3) . . ?
C7 C11 C13 110.2(3) . . ?
C12 C11 C13 110.0(3) . . ?
C19 C14 C15 121.0(3) . . ?
C19 C14 N2 118.6(3) . . ?
C15 C14 N2 120.2(3) . . ?
C16 C15 C14 117.8(3) . . ?
C16 C15 C20 119.5(3) . . ?
C14 C15 C20 122.5(3) . . ?
C17 C16 C15 121.2(3) . . ?
C18 C17 C16 120.0(3) . . ?
C17 C18 C19 121.7(3) . . ?
C18 C19 C14 118.3(3) . . ?
C18 C19 C23 120.3(3) . . ?
C14 C19 C23 121.4(3) . . ?
C15 C20 C21 114.3(3) . . ?
C15 C20 C22 110.0(3) . . ?
C21 C20 C22 110.0(3) . . ?
C19 C23 C25 110.5(3) . . ?
C19 C23 C24 113.1(3) . . ?
C25 C23 C24 109.2(3) . . ?
N3 C26 C27 116.6(3) . . ?
N3 C26 C31 114.3(3) . . ?
C27 C26 C31 109.1(3) . . ?
C28 C27 C26 109.7(3) . . ?
C29 C28 C27 111.2(3) . . ?
C28 C29 C30 111.7(3) . . ?
C31 C30 C29 111.5(3) . . ?
C30 C31 C26 109.4(3) . . ?
N3 C32 C33 114.7(3) . . ?
N3 C32 C37 116.1(3) . . ?
C33 C32 C37 111.9(3) . . ?
C32 C33 C34 110.8(3) . . ?
C35 C34 C33 112.6(3) . . ?
C36 C35 C34 112.6(3) . . ?
C35 C36 C37 113.0(3) . . ?
C36 C37 C32 110.6(3) . . ?
N4 C38 N4 112.2(4) 2_556 . ?
N4 C38 N5 123.9(2) 2_556 . ?
N4 C38 N5 123.9(2) . . ?
C44 C39 C40 119.8(3) . . ?
C44 C39 N4 121.3(3) . . ?
C40 C39 N4 118.6(3) . . ?
C41 C40 C39 119.2(3) . . ?
C41 C40 C45 120.2(3) . . ?
C39 C40 C45 120.5(3) . . ?
C42 C41 C40 120.9(3) . . ?
C43 C42 C41 120.2(3) . . ?
C42 C43 C44 121.3(3) . . ?
C43 C44 C39 118.5(3) . . ?
C43 C44 C48 119.9(3) . . ?
C39 C44 C48 121.2(3) . . ?
C40 C45 C47 113.6(3) . . ?
C40 C45 C46 110.1(3) . . ?
C47 C45 C46 109.5(3) . . ?
C44 C48 C49 109.5(3) . . ?
C44 C48 C50 113.7(3) . . ?
C49 C48 C50 109.3(3) . . ?
N5 C51 C52 115.8(3) . . ?
N5 C51 C56 113.4(2) . . ?
C52 C51 C56 109.4(3) . . ?
C51 C52 C53 109.2(3) . . ?
C54 C53 C52 112.3(3) . . ?
C55 C54 C53 111.1(3) . . ?
C54 C55 C56 111.0(3) . . ?
C55 C56 C51 110.1(3) . . ?
C62 C57 C58 109.8(3) . . ?
C62 C57 Pt1 123.9(2) . . ?
C58 C57 Pt1 126.2(2) . . ?
C59 C58 F1 113.0(3) . . ?
C59 C58 C57 126.3(3) . . ?
F1 C58 C57 120.7(3) . . ?
F2 C59 C58 119.4(3) . . ?
F2 C59 C60 119.2(3) . . ?
C58 C59 C60 121.4(3) . . ?
O1 C60 C61 121.1(3) . . ?
O1 C60 C59 124.0(3) . . ?
C61 C60 C59 114.9(3) . . ?
F3 C61 C62 119.4(3) . . ?
F3 C61 C60 118.8(3) . . ?
C62 C61 C60 121.8(3) . . ?
F4 C62 C61 114.9(3) . . ?
F4 C62 C57 119.3(3) . . ?
C61 C62 C57 125.8(3) . . ?
O2 C64 C65 116.2(7) . . ?
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 C57 2.115(3) 2_556 ?
Pt1 C57 2.115(3) . ?
Pt1 In1 2.5456(5) 2_556 ?
Pt1 In1 2.5456(5) . ?
Pt1 In2 2.6326(6) . ?
In1 N2 2.204(2) . ?
In1 N1 2.242(3) . ?
In1 F1 2.480(2) . ?
In1 C1 2.678(3) . ?
F1 C58 1.379(3) . ?
O1 C60 1.367(4) . ?
O1 C63 1.376(6) . ?
N1 C1 1.351(4) . ?
N1 C2 1.426(4) . ?
C1 N2 1.357(4) . ?
C1 N3 1.380(4) . ?
In2 N4 2.270(3) . ?
In2 N4 2.270(2) 2_556 ?
F2 C59 1.364(4) . ?
O2 C64 1.381(7) . ?
O2 C64 1.381(7) 2 ?
N2 C14 1.430(4) . ?
C2 C7 1.405(4) . ?
C2 C3 1.418(4) . ?
F3 C61 1.356(4) . ?
N3 C26 1.486(4) . ?
N3 C32 1.490(4) . ?
C3 C4 1.393(5) . ?
C3 C8 1.514(5) . ?
F4 C62 1.364(4) . ?
N4 C38 1.347(3) . ?
N4 C39 1.429(4) . ?
C4 C5 1.388(5) . ?
N5 C38 1.390(6) . ?
N5 C51 1.486(3) . ?
N5 C51 1.486(3) 2_556 ?
C5 C6 1.367(5) . ?
C6 C7 1.399(5) . ?
C7 C11 1.510(5) . ?
C8 C10 1.528(5) . ?
C8 C9 1.533(5) . ?
C11 C12 1.524(5) . ?
C11 C13 1.539(4) . ?
C14 C19 1.405(4) . ?
C14 C15 1.414(4) . ?
C15 C16 1.401(4) . ?
C15 C20 1.517(5) . ?
C16 C17 1.383(5) . ?
C17 C18 1.368(5) . ?
C18 C19 1.393(5) . ?
C19 C23 1.521(4) . ?
C20 C21 1.537(4) . ?
C20 C22 1.539(5) . ?
C23 C25 1.533(5) . ?
C23 C24 1.540(5) . ?
C26 C27 1.524(5) . ?
C26 C31 1.534(4) . ?
C27 C28 1.524(5) . ?
C28 C29 1.514(5) . ?
C29 C30 1.524(6) . ?
C30 C31 1.521(5) . ?
C32 C33 1.514(5) . ?
C32 C37 1.521(4) . ?
C33 C34 1.522(5) . ?
C34 C35 1.511(5) . ?
C35 C36 1.508(5) . ?
C36 C37 1.519(5) . ?
C38 N4 1.347(3) 2_556 ?
C39 C44 1.412(4) . ?
C39 C40 1.414(4) . ?
C40 C41 1.389(5) . ?
C40 C45 1.524(5) . ?
C41 C42 1.380(5) . ?
C42 C43 1.372(5) . ?
C43 C44 1.400(5) . ?
C44 C48 1.522(4) . ?
C45 C47 1.531(4) . ?
C45 C46 1.532(5) . ?
C48 C49 1.533(5) . ?
C48 C50 1.533(5) . ?
C51 C52 1.525(5) . ?
C51 C56 1.534(5) . ?
C52 C53 1.525(5) . ?
C53 C54 1.522(6) . ?
C54 C55 1.516(5) . ?
C55 C56 1.525(5) . ?
C57 C62 1.391(4) . ?
C57 C58 1.394(5) . ?
C58 C59 1.372(5) . ?
C59 C60 1.380(5) . ?
C60 C61 1.379(5) . ?
C61 C62 1.377(5) . ?
C64 C65 1.454(8) . ?
