#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/52/7105239.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_7105239
loop_
_publ_author_name
'Fortman, George C'
'Scott, Natalie M'
'Linden, Anthony'
'Stevens, Edwin D'
'Dorta, Reto'
'Nolan, Steven P'
_publ_section_title
;
 Unusual reactivities of N-heterocyclic carbenes upon coordination to
 the platinum(II)-dimethyl moiety.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1050
_journal_page_last               1052
_journal_paper_doi               10.1039/b920482b
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C54 H72 N4 Pt'
_chemical_formula_weight         972.25
_chemical_name_common            ((IPr)2Pt)
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.1840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8035(7)
_cell_length_b                   26.9007(16)
_cell_length_c                   14.1517(8)
_cell_measurement_reflns_used    27182
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.525
_cell_measurement_theta_min      2.089
_cell_volume                     4870.6(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            63794
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    2.919
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.439121
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.898
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.296
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         10593
_refine_ls_number_restraints     531
_refine_ls_restrained_S_all      1.279
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0277P)²+31.5919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1185
_reflns_number_gt                8818
_reflns_number_total             10593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b920482b.txt
_cod_data_source_block           nol305m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Empirical' changed to 'empirical'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7105239
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.780639(15) 0.625363(8) 0.751212(14) 0.01768(7) Uani 1 1 d U . .
N1 N 0.8876(3) 0.54552(18) 0.8751(3) 0.0222(9) Uani 1 1 d U . .
C1 C 0.8001(4) 0.5734(2) 0.8499(4) 0.0194(10) Uani 1 1 d U . .
N2 N 0.7273(3) 0.55570(18) 0.9108(3) 0.0216(9) Uani 1 1 d U . .
C2 C 0.8677(4) 0.5122(2) 0.9475(4) 0.0263(12) Uani 1 1 d U . .
H2 H 0.9157 0.4891 0.9755 0.032 Uiso 1 1 calc R . .
N3 N 0.8182(4) 0.71674(18) 0.6311(3) 0.0244(10) Uani 1 1 d U . .
C3 C 0.7697(4) 0.5186(2) 0.9697(4) 0.0267(12) Uani 1 1 d U . .
H3 H 0.7343 0.5012 1.0173 0.032 Uiso 1 1 calc R . .
N4 N 0.6729(4) 0.68213(18) 0.5906(3) 0.0246(10) Uani 1 1 d U . .
C4 C 0.9898(4) 0.5500(2) 0.8371(4) 0.0244(11) Uani 1 1 d U . .
C5 C 1.0587(4) 0.5854(2) 0.8748(4) 0.0274(11) Uani 1 1 d U . .
C6 C 1.1591(5) 0.5867(3) 0.8382(5) 0.0357(14) Uani 1 1 d U . .
H6 H 1.2080 0.6108 0.8610 0.043 Uiso 1 1 calc R . .
C7 C 1.1876(5) 0.5534(3) 0.7697(5) 0.0396(15) Uani 1 1 d U . .
H7 H 1.2555 0.5552 0.7451 0.048 Uiso 1 1 calc R . .
C8 C 1.1188(5) 0.5178(3) 0.7368(5) 0.0391(14) Uani 1 1 d U . .
H8 H 1.1411 0.4943 0.6916 0.047 Uiso 1 1 calc R . .
C9 C 1.0176(5) 0.5153(2) 0.7677(5) 0.0326(13) Uani 1 1 d U . .
C10 C 0.9411(6) 0.4766(3) 0.7295(6) 0.0458(16) Uani 1 1 d U . .
H10 H 0.8818 0.4757 0.7735 0.055 Uiso 1 1 calc R . .
C11 C 0.9870(8) 0.4247(3) 0.7278(9) 0.074(3) Uani 1 1 d U . .
H11A H 1.0382 0.4227 0.6782 0.111 Uiso 1 1 calc R . .
H11B H 0.9310 0.4005 0.7148 0.111 Uiso 1 1 calc R . .
H11C H 1.0215 0.4174 0.7892 0.111 Uiso 1 1 calc R . .
C12 C 0.8958(9) 0.4928(4) 0.6333(8) 0.088(3) Uani 1 1 d U . .
H12A H 0.8689 0.5268 0.6376 0.132 Uiso 1 1 calc R . .
H12B H 0.8388 0.4703 0.6134 0.132 Uiso 1 1 calc R . .
H12C H 0.9507 0.4917 0.5868 0.132 Uiso 1 1 calc R . .
C13 C 1.0284(5) 0.6206(2) 0.9523(5) 0.0304(12) Uani 1 1 d U . .
H13 H 0.9687 0.6053 0.9853 0.037 Uiso 1 1 calc R . .
C14 C 0.9916(5) 0.6697(3) 0.9122(5) 0.0374(15) Uani 1 1 d U . .
H14A H 1.0501 0.6867 0.8832 0.056 Uiso 1 1 calc R . .
H14B H 0.9652 0.6904 0.9631 0.056 Uiso 1 1 calc R . .
H14C H 0.9356 0.6640 0.8643 0.056 Uiso 1 1 calc R . .
C15 C 1.1173(6) 0.6294(3) 1.0267(5) 0.0428(16) Uani 1 1 d U . .
H15A H 1.1723 0.6493 0.9989 0.064 Uiso 1 1 calc R . .
H15B H 1.1462 0.5973 1.0477 0.064 Uiso 1 1 calc R . .
H15C H 1.0898 0.6471 1.0810 0.064 Uiso 1 1 calc R . .
C16 C 0.6247(4) 0.5749(2) 0.9248(4) 0.0233(10) Uani 1 1 d U . .
C17 C 0.6158(5) 0.6163(2) 0.9836(4) 0.0278(11) Uani 1 1 d U . .
C18 C 0.5156(5) 0.6303(3) 1.0085(5) 0.0355(13) Uani 1 1 d U . .
H18 H 0.5069 0.6578 1.0496 0.043 Uiso 1 1 calc R . .
C19 C 0.4287(5) 0.6045(3) 0.9741(5) 0.0377(14) Uani 1 1 d U . .
H19 H 0.3608 0.6143 0.9918 0.045 Uiso 1 1 calc R . .
C20 C 0.4404(5) 0.5645(3) 0.9138(5) 0.0329(13) Uani 1 1 d U . .
H20 H 0.3802 0.5476 0.8894 0.039 Uiso 1 1 calc R . .
C21 C 0.5384(4) 0.5488(2) 0.8886(4) 0.0260(11) Uani 1 1 d U . .
C22 C 0.5521(5) 0.5044(2) 0.8223(4) 0.0300(12) Uani 1 1 d U . .
H22 H 0.6155 0.4857 0.8456 0.036 Uiso 1 1 calc R . .
C23 C 0.5726(6) 0.5226(3) 0.7230(5) 0.0469(18) Uani 1 1 d U . .
H23A H 0.5811 0.4940 0.6811 0.070 Uiso 1 1 calc R . .
H23B H 0.6364 0.5427 0.7243 0.070 Uiso 1 1 calc R . .
H23C H 0.5135 0.5428 0.6995 0.070 Uiso 1 1 calc R . .
C24 C 0.4607(5) 0.4685(3) 0.8208(5) 0.0393(15) Uani 1 1 d U . .
H24A H 0.3980 0.4852 0.7946 0.059 Uiso 1 1 calc R . .
H24B H 0.4483 0.4573 0.8853 0.059 Uiso 1 1 calc R . .
H24C H 0.4767 0.4397 0.7814 0.059 Uiso 1 1 calc R . .
C25 C 0.7109(5) 0.6444(3) 1.0229(5) 0.0321(13) Uani 1 1 d U . .
H25 H 0.7731 0.6321 0.9892 0.039 Uiso 1 1 calc R . .
C26 C 0.6999(7) 0.7000(3) 1.0023(6) 0.055(2) Uani 1 1 d U . .
H26A H 0.6373 0.7128 1.0318 0.082 Uiso 1 1 calc R . .
H26B H 0.6935 0.7053 0.9338 0.082 Uiso 1 1 calc R . .
H26C H 0.7616 0.7176 1.0280 0.082 Uiso 1 1 calc R . .
C27 C 0.7302(6) 0.6341(3) 1.1278(5) 0.0448(17) Uani 1 1 d U . .
H27A H 0.6681 0.6434 1.1621 0.067 Uiso 1 1 calc R . .
H27B H 0.7902 0.6537 1.1516 0.067 Uiso 1 1 calc R . .
H27C H 0.7447 0.5986 1.1372 0.067 Uiso 1 1 calc R . .
C28 C 0.7570(4) 0.6768(2) 0.6538(4) 0.0224(10) Uani 1 1 d U . .
C29 C 0.7723(5) 0.7452(2) 0.5585(5) 0.0332(13) Uani 1 1 d U . .
H29 H 0.8003 0.7744 0.5316 0.040 Uiso 1 1 calc R . .
C30 C 0.6819(5) 0.7236(2) 0.5339(5) 0.0317(13) Uani 1 1 d U . .
H30 H 0.6329 0.7345 0.4864 0.038 Uiso 1 1 calc R . .
C31 C 0.9207(4) 0.7278(2) 0.6723(4) 0.0266(11) Uani 1 1 d U . .
C32 C 1.0058(5) 0.7016(2) 0.6404(5) 0.0301(12) Uani 1 1 d U . .
C33 C 1.1045(5) 0.7140(3) 0.6785(5) 0.0371(14) Uani 1 1 d U . .
H33 H 1.1641 0.6960 0.6597 0.044 Uiso 1 1 calc R . .
C34 C 1.1168(5) 0.7524(3) 0.7435(5) 0.0379(14) Uani 1 1 d U . .
H34 H 1.1844 0.7607 0.7686 0.046 Uiso 1 1 calc R . .
C35 C 1.0306(5) 0.7785(3) 0.7718(5) 0.0375(14) Uani 1 1 d U . .
H35 H 1.0400 0.8053 0.8150 0.045 Uiso 1 1 calc R . .
C36 C 0.9307(5) 0.7666(2) 0.7385(5) 0.0310(12) Uani 1 1 d U . .
C37 C 0.8370(6) 0.7953(3) 0.7724(6) 0.0428(15) Uani 1 1 d U . .
H37 H 0.7716 0.7773 0.7519 0.051 Uiso 1 1 calc R . .
C38 C 0.8415(8) 0.7993(4) 0.8807(6) 0.065(2) Uani 1 1 d U . .
H38A H 0.8478 0.7660 0.9084 0.097 Uiso 1 1 calc R . .
H38B H 0.7775 0.8152 0.9017 0.097 Uiso 1 1 calc R . .
H38C H 0.9022 0.8194 0.9012 0.097 Uiso 1 1 calc R . .
C39 C 0.8323(8) 0.8479(4) 0.7335(8) 0.071(3) Uani 1 1 d U . .
H39A H 0.8942 0.8664 0.7563 0.106 Uiso 1 1 calc R . .
H39B H 0.7692 0.8644 0.7548 0.106 Uiso 1 1 calc R . .
H39C H 0.8305 0.8468 0.6642 0.106 Uiso 1 1 calc R . .
C40 C 0.9925(6) 0.6626(3) 0.5641(5) 0.0383(14) Uani 1 1 d U . .
H40 H 0.9190 0.6501 0.5663 0.046 Uiso 1 1 calc R . .
C41 C 1.0626(11) 0.6185(4) 0.5777(9) 0.094(4) Uani 1 1 d U . .
H41A H 1.1344 0.6278 0.5641 0.141 Uiso 1 1 calc R . .
H41B H 1.0392 0.5918 0.5348 0.141 Uiso 1 1 calc R . .
H41C H 1.0601 0.6069 0.6433 0.141 Uiso 1 1 calc R . .
C42 C 1.0047(12) 0.6844(4) 0.4678(7) 0.089(3) Uani 1 1 d U . .
H42A H 1.0784 0.6925 0.4592 0.133 Uiso 1 1 calc R . .
H42B H 0.9625 0.7147 0.4614 0.133 Uiso 1 1 calc R . .
H42C H 0.9812 0.6603 0.4196 0.133 Uiso 1 1 calc R . .
C43 C 0.5820(4) 0.6505(2) 0.5839(4) 0.0246(11) Uani 1 1 d U . .
C44 C 0.5833(5) 0.6090(2) 0.5239(4) 0.0273(11) Uani 1 1 d U . .
C45 C 0.4893(5) 0.5835(3) 0.5087(5) 0.0338(13) Uani 1 1 d U . .
H45 H 0.4872 0.5554 0.4680 0.041 Uiso 1 1 calc R . .
C46 C 0.3996(5) 0.5982(3) 0.5513(5) 0.0363(14) Uani 1 1 d U . .
H46 H 0.3358 0.5811 0.5380 0.044 Uiso 1 1 calc R . .
C47 C 0.4022(5) 0.6379(3) 0.6136(5) 0.0354(14) Uani 1 1 d U . .
H47 H 0.3407 0.6467 0.6452 0.043 Uiso 1 1 calc R . .
C48 C 0.4931(5) 0.6650(2) 0.6306(5) 0.0301(12) Uani 1 1 d U . .
C49 C 0.4967(5) 0.7076(3) 0.7010(5) 0.0385(14) Uani 1 1 d U . .
H49 H 0.5705 0.7198 0.7063 0.046 Uiso 1 1 calc R . .
C50 C 0.4665(11) 0.6907(4) 0.7979(6) 0.087(3) Uani 1 1 d U . .
H50A H 0.3939 0.6792 0.7950 0.131 Uiso 1 1 calc R . .
H50B H 0.4737 0.7186 0.8423 0.131 Uiso 1 1 calc R . .
H50C H 0.5125 0.6635 0.8192 0.131 Uiso 1 1 calc R . .
C51 C 0.4283(8) 0.7509(3) 0.6702(7) 0.062(2) Uani 1 1 d U . .
H51A H 0.3547 0.7417 0.6751 0.094 Uiso 1 1 calc R . .
H51B H 0.4419 0.7595 0.6045 0.094 Uiso 1 1 calc R . .
H51C H 0.4440 0.7796 0.7110 0.094 Uiso 1 1 calc R . .
C52 C 0.6842(5) 0.5919(2) 0.4812(5) 0.0307(12) Uani 1 1 d U . .
H52 H 0.7431 0.6013 0.5261 0.037 Uiso 1 1 calc R . .
C53 C 0.6875(6) 0.5353(3) 0.4682(5) 0.0419(16) Uani 1 1 d U . .
H53A H 0.6733 0.5190 0.5283 0.063 Uiso 1 1 calc R . .
H53B H 0.7567 0.5254 0.4478 0.063 Uiso 1 1 calc R . .
H53C H 0.6344 0.5253 0.4202 0.063 Uiso 1 1 calc R . .
C54 C 0.7029(6) 0.6176(3) 0.3863(5) 0.0469(18) Uani 1 1 d U . .
H54A H 0.6475 0.6082 0.3401 0.070 Uiso 1 1 calc R . .
H54B H 0.7708 0.6073 0.3632 0.070 Uiso 1 1 calc R . .
H54C H 0.7024 0.6537 0.3951 0.070 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'
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
C28 Pt1 C1 178.3(2) . . ?
C1 N1 C2 111.7(5) . . ?
C1 N1 C4 126.7(5) . . ?
C2 N1 C4 121.6(5) . . ?
N2 C1 N1 102.2(4) . . ?
N2 C1 Pt1 127.9(4) . . ?
N1 C1 Pt1 129.9(4) . . ?
C1 N2 C3 111.3(5) . . ?
C1 N2 C16 127.4(5) . . ?
C3 N2 C16 120.9(5) . . ?
C3 C2 N1 107.1(5) . . ?
C28 N3 C29 111.9(5) . . ?
C28 N3 C31 125.6(5) . . ?
C29 N3 C31 122.4(5) . . ?
C2 C3 N2 107.7(5) . . ?
C28 N4 C30 112.3(5) . . ?
C28 N4 C43 126.1(5) . . ?
C30 N4 C43 121.5(5) . . ?
C5 C4 C9 123.2(5) . . ?
C5 C4 N1 119.1(5) . . ?
C9 C4 N1 117.5(5) . . ?
C4 C5 C6 116.8(6) . . ?
C4 C5 C13 122.1(5) . . ?
C6 C5 C13 121.1(6) . . ?
C7 C6 C5 121.0(6) . . ?
C8 C7 C6 120.5(6) . . ?
C7 C8 C9 121.6(7) . . ?
C8 C9 C4 116.8(6) . . ?
C8 C9 C10 121.4(6) . . ?
C4 C9 C10 121.8(6) . . ?
C11 C10 C9 113.1(7) . . ?
C11 C10 C12 112.6(8) . . ?
C9 C10 C12 109.9(7) . . ?
C14 C13 C5 111.2(5) . . ?
C14 C13 C15 109.6(5) . . ?
C5 C13 C15 112.9(5) . . ?
C21 C16 C17 122.7(5) . . ?
C21 C16 N2 119.2(5) . . ?
C17 C16 N2 117.7(5) . . ?
C18 C17 C16 117.5(6) . . ?
C18 C17 C25 120.3(6) . . ?
C16 C17 C25 122.1(5) . . ?
C19 C18 C17 120.7(6) . . ?
C20 C19 C18 120.1(6) . . ?
C19 C20 C21 121.2(6) . . ?
C20 C21 C16 117.8(6) . . ?
C20 C21 C22 121.5(6) . . ?
C16 C21 C22 120.8(5) . . ?
C24 C22 C23 110.6(6) . . ?
C24 C22 C21 113.5(5) . . ?
C23 C22 C21 110.0(6) . . ?
C17 C25 C27 111.4(5) . . ?
C17 C25 C26 110.4(6) . . ?
C27 C25 C26 112.0(6) . . ?
N3 C28 N4 101.8(5) . . ?
N3 C28 Pt1 129.7(4) . . ?
N4 C28 Pt1 128.5(4) . . ?
C30 C29 N3 107.0(5) . . ?
C29 C30 N4 107.0(5) . . ?
C32 C31 C36 122.8(6) . . ?
C32 C31 N3 118.4(5) . . ?
C36 C31 N3 118.7(6) . . ?
C31 C32 C33 117.7(6) . . ?
C31 C32 C40 121.1(6) . . ?
C33 C32 C40 121.2(6) . . ?
C34 C33 C32 120.7(6) . . ?
C35 C34 C33 120.0(6) . . ?
C34 C35 C36 121.5(7) . . ?
C35 C36 C31 117.2(6) . . ?
C35 C36 C37 120.4(6) . . ?
C31 C36 C37 122.3(6) . . ?
C39 C37 C36 112.3(6) . . ?
C39 C37 C38 107.2(7) . . ?
C36 C37 C38 110.5(7) . . ?
C41 C40 C42 110.2(9) . . ?
C41 C40 C32 114.1(7) . . ?
C42 C40 C32 111.4(6) . . ?
C48 C43 C44 122.5(5) . . ?
C48 C43 N4 118.5(5) . . ?
C44 C43 N4 118.7(5) . . ?
C45 C44 C43 117.0(6) . . ?
C45 C44 C52 122.1(6) . . ?
C43 C44 C52 120.8(5) . . ?
C46 C45 C44 121.5(6) . . ?
C45 C46 C47 120.0(6) . . ?
C46 C47 C48 121.1(6) . . ?
C47 C48 C43 117.8(6) . . ?
C47 C48 C49 121.0(6) . . ?
C43 C48 C49 121.1(6) . . ?
C50 C49 C51 109.1(7) . . ?
C50 C49 C48 111.6(7) . . ?
C51 C49 C48 112.9(6) . . ?
C44 C52 C53 112.1(5) . . ?
C44 C52 C54 112.0(5) . . ?
C53 C52 C54 109.7(6) . . ?
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 C28 1.968(6) . ?
Pt1 C1 1.985(6) . ?
N1 C1 1.384(7) . ?
N1 C2 1.392(7) . ?
N1 C4 1.439(7) . ?
C1 N2 1.378(7) . ?
N2 C3 1.396(7) . ?
N2 C16 1.433(7) . ?
C2 C3 1.316(8) . ?
N3 C28 1.376(7) . ?
N3 C29 1.392(8) . ?
N3 C31 1.446(7) . ?
N4 C28 1.381(7) . ?
N4 C30 1.381(8) . ?
N4 C43 1.441(7) . ?
C4 C5 1.391(8) . ?
C4 C9 1.411(9) . ?
C5 C6 1.404(9) . ?
C5 C13 1.510(9) . ?
C6 C7 1.379(10) . ?
C7 C8 1.372(10) . ?
C8 C9 1.385(9) . ?
C9 C10 1.514(10) . ?
C10 C11 1.515(11) . ?
C10 C12 1.523(13) . ?
C13 C14 1.508(9) . ?
C13 C15 1.538(9) . ?
C16 C21 1.390(8) . ?
C16 C17 1.398(9) . ?
C17 C18 1.395(8) . ?
C17 C25 1.521(9) . ?
C18 C19 1.384(10) . ?
C19 C20 1.384(10) . ?
C20 C21 1.384(8) . ?
C21 C22 1.533(9) . ?
C22 C24 1.517(9) . ?
C22 C23 1.521(9) . ?
C25 C27 1.521(10) . ?
C25 C26 1.530(10) . ?
C29 C30 1.329(9) . ?
C31 C32 1.388(9) . ?
C31 C36 1.406(9) . ?
C32 C33 1.395(9) . ?
C32 C40 1.512(9) . ?
C33 C34 1.389(10) . ?
C34 C35 1.380(10) . ?
C35 C36 1.383(9) . ?
C36 C37 1.519(10) . ?
C37 C39 1.518(12) . ?
C37 C38 1.535(11) . ?
C40 C41 1.496(11) . ?
C40 C42 1.498(12) . ?
C43 C48 1.394(9) . ?
C43 C44 1.404(9) . ?
C44 C45 1.395(9) . ?
C44 C52 1.519(9) . ?
C45 C46 1.376(10) . ?
C46 C47 1.385(10) . ?
C47 C48 1.387(9) . ?
C48 C49 1.517(9) . ?
C49 C50 1.508(12) . ?
C49 C51 1.512(10) . ?
C52 C53 1.533(9) . ?
C52 C54 1.538(10) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 N1 C1 N2 0.6(6) . . . . ?
C4 N1 C1 N2 -176.9(5) . . . . ?
C2 N1 C1 Pt1 -178.9(4) . . . . ?
C4 N1 C1 Pt1 3.7(8) . . . . ?
C28 Pt1 C1 N2 -11(8) . . . . ?
C28 Pt1 C1 N1 168(7) . . . . ?
N1 C1 N2 C3 -0.2(6) . . . . ?
Pt1 C1 N2 C3 179.3(4) . . . . ?
N1 C1 N2 C16 172.2(5) . . . . ?
Pt1 C1 N2 C16 -8.3(8) . . . . ?
C1 N1 C2 C3 -0.7(7) . . . . ?
C4 N1 C2 C3 176.8(5) . . . . ?
N1 C2 C3 N2 0.6(7) . . . . ?
C1 N2 C3 C2 -0.3(7) . . . . ?
C16 N2 C3 C2 -173.2(5) . . . . ?
C1 N1 C4 C5 84.4(7) . . . . ?
C2 N1 C4 C5 -92.8(7) . . . . ?
C1 N1 C4 C9 -100.2(7) . . . . ?
C2 N1 C4 C9 82.6(7) . . . . ?
C9 C4 C5 C6 2.1(9) . . . . ?
N1 C4 C5 C6 177.2(5) . . . . ?
C9 C4 C5 C13 -177.1(6) . . . . ?
N1 C4 C5 C13 -2.1(9) . . . . ?
C4 C5 C6 C7 -1.4(10) . . . . ?
C13 C5 C6 C7 177.8(6) . . . . ?
C5 C6 C7 C8 -1.0(11) . . . . ?
C6 C7 C8 C9 2.8(11) . . . . ?
C7 C8 C9 C4 -2.1(10) . . . . ?
C7 C8 C9 C10 178.6(7) . . . . ?
C5 C4 C9 C8 -0.4(10) . . . . ?
N1 C4 C9 C8 -175.5(6) . . . . ?
C5 C4 C9 C10 178.9(6) . . . . ?
N1 C4 C9 C10 3.7(9) . . . . ?
C8 C9 C10 C11 47.3(11) . . . . ?
C4 C9 C10 C11 -131.9(8) . . . . ?
C8 C9 C10 C12 -79.5(9) . . . . ?
C4 C9 C10 C12 101.3(9) . . . . ?
C4 C5 C13 C14 -95.8(7) . . . . ?
C6 C5 C13 C14 85.0(7) . . . . ?
C4 C5 C13 C15 140.5(6) . . . . ?
C6 C5 C13 C15 -38.7(8) . . . . ?
C1 N2 C16 C21 106.3(7) . . . . ?
C3 N2 C16 C21 -81.9(7) . . . . ?
C1 N2 C16 C17 -80.7(7) . . . . ?
C3 N2 C16 C17 91.1(7) . . . . ?
C21 C16 C17 C18 2.3(9) . . . . ?
N2 C16 C17 C18 -170.5(5) . . . . ?
C21 C16 C17 C25 179.8(6) . . . . ?
N2 C16 C17 C25 7.1(8) . . . . ?
C16 C17 C18 C19 -1.5(9) . . . . ?
C25 C17 C18 C19 -179.1(6) . . . . ?
C17 C18 C19 C20 -0.3(10) . . . . ?
C18 C19 C20 C21 1.5(10) . . . . ?
C19 C20 C21 C16 -0.8(9) . . . . ?
C19 C20 C21 C22 179.7(6) . . . . ?
C17 C16 C21 C20 -1.1(9) . . . . ?
N2 C16 C21 C20 171.5(5) . . . . ?
C17 C16 C21 C22 178.4(5) . . . . ?
N2 C16 C21 C22 -8.9(8) . . . . ?
C20 C21 C22 C24 -23.6(8) . . . . ?
C16 C21 C22 C24 156.9(6) . . . . ?
C20 C21 C22 C23 100.9(7) . . . . ?
C16 C21 C22 C23 -78.6(7) . . . . ?
C18 C17 C25 C27 70.7(8) . . . . ?
C16 C17 C25 C27 -106.8(7) . . . . ?
C18 C17 C25 C26 -54.4(8) . . . . ?
C16 C17 C25 C26 128.1(7) . . . . ?
C29 N3 C28 N4 0.9(7) . . . . ?
C31 N3 C28 N4 -176.1(5) . . . . ?
C29 N3 C28 Pt1 -178.7(5) . . . . ?
C31 N3 C28 Pt1 4.3(9) . . . . ?
C30 N4 C28 N3 -1.1(7) . . . . ?
C43 N4 C28 N3 -178.6(5) . . . . ?
C30 N4 C28 Pt1 178.5(5) . . . . ?
C43 N4 C28 Pt1 1.0(9) . . . . ?
C1 Pt1 C28 N3 147(7) . . . . ?
C1 Pt1 C28 N4 -33(8) . . . . ?
C28 N3 C29 C30 -0.4(8) . . . . ?
C31 N3 C29 C30 176.7(6) . . . . ?
N3 C29 C30 N4 -0.3(8) . . . . ?
C28 N4 C30 C29 0.9(8) . . . . ?
C43 N4 C30 C29 178.6(6) . . . . ?
C28 N3 C31 C32 79.0(8) . . . . ?
C29 N3 C31 C32 -97.7(7) . . . . ?
C28 N3 C31 C36 -104.8(7) . . . . ?
C29 N3 C31 C36 78.5(8) . . . . ?
C36 C31 C32 C33 1.8(9) . . . . ?
N3 C31 C32 C33 177.7(6) . . . . ?
C36 C31 C32 C40 -175.6(6) . . . . ?
N3 C31 C32 C40 0.3(9) . . . . ?
C31 C32 C33 C34 -2.2(10) . . . . ?
C40 C32 C33 C34 175.2(6) . . . . ?
C32 C33 C34 C35 0.5(11) . . . . ?
C33 C34 C35 C36 1.6(11) . . . . ?
C34 C35 C36 C31 -2.0(10) . . . . ?
C34 C35 C36 C37 178.7(7) . . . . ?
C32 C31 C36 C35 0.3(10) . . . . ?
N3 C31 C36 C35 -175.7(6) . . . . ?
C32 C31 C36 C37 179.6(6) . . . . ?
N3 C31 C36 C37 3.6(9) . . . . ?
C35 C36 C37 C39 70.9(10) . . . . ?
C31 C36 C37 C39 -108.3(8) . . . . ?
C35 C36 C37 C38 -48.7(9) . . . . ?
C31 C36 C37 C38 132.0(7) . . . . ?
C31 C32 C40 C41 -143.1(9) . . . . ?
C33 C32 C40 C41 39.6(11) . . . . ?
C31 C32 C40 C42 91.3(9) . . . . ?
C33 C32 C40 C42 -86.0(10) . . . . ?
C28 N4 C43 C48 95.8(7) . . . . ?
C30 N4 C43 C48 -81.5(7) . . . . ?
C28 N4 C43 C44 -89.9(7) . . . . ?
C30 N4 C43 C44 92.8(7) . . . . ?
C48 C43 C44 C45 3.0(9) . . . . ?
N4 C43 C44 C45 -171.0(5) . . . . ?
C48 C43 C44 C52 -174.6(6) . . . . ?
N4 C43 C44 C52 11.4(8) . . . . ?
C43 C44 C45 C46 -0.6(10) . . . . ?
C52 C44 C45 C46 177.0(6) . . . . ?
C44 C45 C46 C47 -2.5(11) . . . . ?
C45 C46 C47 C48 3.2(11) . . . . ?
C46 C47 C48 C43 -0.8(10) . . . . ?
C46 C47 C48 C49 -178.2(6) . . . . ?
C44 C43 C48 C47 -2.4(9) . . . . ?
N4 C43 C48 C47 171.7(6) . . . . ?
C44 C43 C48 C49 175.1(6) . . . . ?
N4 C43 C48 C49 -10.9(9) . . . . ?
C47 C48 C49 C50 57.2(10) . . . . ?
C43 C48 C49 C50 -120.1(8) . . . . ?
C47 C48 C49 C51 -66.1(9) . . . . ?
C43 C48 C49 C51 116.5(8) . . . . ?
C45 C44 C52 C53 -30.1(8) . . . . ?
C43 C44 C52 C53 147.4(6) . . . . ?
C45 C44 C52 C54 93.6(8) . . . . ?
C43 C44 C52 C54 -88.9(7) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30653174
