#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:34:31 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/05/1570500.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_1570500
loop_
_publ_author_name
'Haketa, Yohei'
'Komatsu, Kaifu'
'Sei, Hiroi'
'Imoba, Hiroki'
'Ota, Wataru'
'Sato, Tohru'
'Murakami, Yu'
'Tanaka, Hiroki'
'Yasuda, Nobuhiro'
'Tohnai, Norimitsu'
'Maeda, Hiromitsu'
_publ_section_title
;
 Enhanced solid-state phosphorescence of organoplatinum π-systems by
 ion-pairing assembly.
;
_journal_issue                   3
_journal_name_full               'Chemical science'
_journal_page_first              964
_journal_page_last               973
_journal_paper_doi               10.1039/d3sc04564a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C22 H17 N3 O2 Pt, C16 H36 N, C4 H8 O, Cl'
_chemical_formula_sum            'C42 H61 Cl N4 O3 Pt'
_chemical_formula_weight         900.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-03-15 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.377(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5147(2)
_cell_length_b                   16.3288(4)
_cell_length_c                   28.9929(8)
_cell_measurement_reflns_used    41868
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      29.238
_cell_measurement_theta_min      1.616
_cell_volume                     3997.66(18)
_computing_cell_refinement       'Rapid Auto(Rigaku)'
_computing_data_collection       'Rapid Auto(Rigaku)'
_computing_data_reduction        'Rapid Auto(Rigaku)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 13.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'DECTRIS EIGER X 1M'
_diffrn_measurement_method       'Shutterless ω scans'
_diffrn_radiation_monochromator  'Si(111) Channel Cut'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.81082
_diffrn_reflns_av_R_equivalents  0.1725
_diffrn_reflns_av_unetI/netI     0.1540
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            41868
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        29.110
_diffrn_reflns_theta_max         29.238
_diffrn_reflns_theta_min         1.616
_diffrn_source                   'synchrotron radiation SPring-8 BL40XU'
_exptl_absorpt_coefficient_mu    5.031
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (T.Higashi, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.916
_refine_diff_density_min         -2.936
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         7323
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0889P)²+8.6070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1908
_refine_ls_wR_factor_ref         0.2020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5868
_reflns_number_total             7323
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc04564a2.cif
_cod_data_source_block           ymu-8-2_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1570497--1570509.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1570500
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.633
_shelx_estimated_absorpt_t_max   0.951
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3935(11) 0.6017(5) 0.6071(3) 0.046(2) Uani 1 1 d . . . . .
H1 H 0.3796 0.6565 0.6167 0.056 Uiso 1 1 calc R U . . .
C2 C 0.3476(12) 0.5723(6) 0.5639(4) 0.053(3) Uani 1 1 d . . . . .
H2 H 0.2963 0.6021 0.5381 0.063 Uiso 1 1 calc R U . . .
C3 C 0.3907(12) 0.4891(6) 0.5647(3) 0.050(2) Uani 1 1 d . . . . .
H3 H 0.3737 0.4523 0.5392 0.060 Uiso 1 1 calc R U . . .
C4 C 0.4613(10) 0.4702(5) 0.6086(3) 0.043(2) Uani 1 1 d . . . . .
C5 C 0.5359(9) 0.3939(5) 0.6252(3) 0.0364(19) Uani 1 1 d . . . . .
C6 C 0.6055(10) 0.3871(5) 0.6716(3) 0.0365(19) Uani 1 1 d . . . . .
H6 H 0.6013 0.4338 0.6909 0.044 Uiso 1 1 calc R U . . .
C7 C 0.6807(9) 0.3173(5) 0.6916(3) 0.041(2) Uani 1 1 d . . . . .
C8 C 0.7371(10) 0.3193(5) 0.7410(3) 0.039(2) Uani 1 1 d . . . . .
N5 N 0.8213(10) 0.2552(4) 0.7632(3) 0.0404(19) Uani 1 1 d . . . . .
H43 H 0.8478 0.2098 0.7498 0.048 Uiso 1 1 calc R U . . .
C10 C 0.8568(13) 0.2730(6) 0.8090(4) 0.050(3) Uani 1 1 d . . . . .
H10 H 0.9164 0.2393 0.8316 0.060 Uiso 1 1 calc R U . . .
C11 C 0.7922(11) 0.3478(6) 0.8174(3) 0.048(2) Uani 1 1 d . . . . .
H11 H 0.7977 0.3746 0.8466 0.058 Uiso 1 1 calc R U . . .
C12 C 0.8412(10) 0.0904(5) 0.6365(3) 0.041(2) Uani 1 1 d . . . . .
H12 H 0.8537 0.1191 0.6653 0.050 Uiso 1 1 calc R U . . .
C13 C 0.9175(11) 0.0169(5) 0.6342(3) 0.047(2) Uani 1 1 d . . . . .
H13 H 0.9799 -0.0059 0.6606 0.057 Uiso 1 1 calc R U . . .
C14 C 0.8995(14) -0.0226(6) 0.5917(4) 0.063(3) Uani 1 1 d . . . . .
H14 H 0.9516 -0.0734 0.5887 0.076 Uiso 1 1 calc R U . . .
C15 C 0.8084(14) 0.0099(6) 0.5541(4) 0.058(3) Uani 1 1 d . . . . .
H15 H 0.7964 -0.0185 0.5253 0.070 Uiso 1 1 calc R U . . .
C16 C 0.7337(11) 0.0839(5) 0.5578(3) 0.045(2) Uani 1 1 d . . . . .
C17 C 0.6366(11) 0.1275(5) 0.5221(3) 0.045(2) Uani 1 1 d . . . . .
C18 C 0.6012(14) 0.0991(6) 0.4759(4) 0.063(3) Uani 1 1 d . . . . .
H18 H 0.6373 0.0467 0.4677 0.076 Uiso 1 1 calc R U . . .
C19 C 0.5144(13) 0.1470(7) 0.4427(4) 0.061(3) Uani 1 1 d . . . . .
H19 H 0.4918 0.1281 0.4116 0.073 Uiso 1 1 calc R U . . .
C20 C 0.4613(15) 0.2214(7) 0.4547(4) 0.061(3) Uani 1 1 d . . . . .
H20 H 0.4008 0.2540 0.4318 0.073 Uiso 1 1 calc R U . . .
C21 C 0.4936(14) 0.2507(6) 0.4996(4) 0.053(3) Uani 1 1 d . . . . .
H21 H 0.4544 0.3031 0.5066 0.064 Uiso 1 1 calc R U . . .
C22 C 0.5842(10) 0.2051(5) 0.5362(4) 0.045(2) Uani 1 1 d . . . . .
N1 N 0.4618(8) 0.5416(4) 0.6344(3) 0.0413(18) Uani 1 1 d . . . . .
H1A H 0.5006 0.5468 0.6639 0.050 Uiso 1 1 calc R U . . .
C43 C 0.7167(10) 0.3776(5) 0.7748(3) 0.038(2) Uani 1 1 d . . . . .
H44 H 0.6619 0.4281 0.7699 0.046 Uiso 1 1 calc R U . . .
N3 N 0.7486(8) 0.1242(4) 0.5998(2) 0.0392(17) Uani 1 1 d . . . . .
O1 O 0.5307(6) 0.3368(3) 0.59352(19) 0.0366(13) Uani 1 1 d . . . . .
O2 O 0.7061(8) 0.2503(4) 0.6704(3) 0.0454(17) Uani 1 1 d . . . . .
Pt1 Pt 0.64066(4) 0.23145(2) 0.60028(2) 0.03896(18) Uani 1 1 d . . . . .
Cl1 Cl 0.5404(3) 0.57522(13) 0.74250(8) 0.0445(5) Uani 1 1 d . . . . .
N4 N 0.0400(8) 0.5642(4) 0.6995(3) 0.0458(19) Uani 1 1 d . . . . .
C23 C -0.0198(11) 0.5529(6) 0.7455(4) 0.055(3) Uani 1 1 d . . . . .
H23 H -0.0841 0.6014 0.7514 0.066 Uiso 1 1 calc R U . . .
H23A H -0.0909 0.5048 0.7432 0.066 Uiso 1 1 calc R U . . .
C24 C 0.1040(11) 0.5413(6) 0.7864(3) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.1928 0.5796 0.7842 0.055 Uiso 1 1 calc R U . . .
H24A H 0.1458 0.4847 0.7864 0.055 Uiso 1 1 calc R U . . .
C25 C 0.0327(12) 0.5570(6) 0.8315(3) 0.050(2) Uani 1 1 d . . . . .
H25 H -0.0112 0.6132 0.8305 0.060 Uiso 1 1 calc R U . . .
H25A H -0.0562 0.5184 0.8330 0.060 Uiso 1 1 calc R U . . .
C26 C 0.1496(13) 0.5477(6) 0.8753(4) 0.063(3) Uani 1 1 d . . . . .
H26 H 0.1987 0.4934 0.8757 0.094 Uiso 1 1 calc R U . . .
H26A H 0.0939 0.5539 0.9026 0.094 Uiso 1 1 calc R U . . .
H26B H 0.2317 0.5899 0.8758 0.094 Uiso 1 1 calc R U . . .
C27 C 0.1420(10) 0.4916(5) 0.6886(4) 0.046(2) Uani 1 1 d . . . . .
H27 H 0.1715 0.4996 0.6569 0.056 Uiso 1 1 calc R U . . .
H27A H 0.2411 0.4930 0.7105 0.056 Uiso 1 1 calc R U . . .
C28 C 0.0708(10) 0.4080(5) 0.6907(3) 0.045(2) Uani 1 1 d . . . . .
H28 H -0.0323 0.4059 0.6706 0.054 Uiso 1 1 calc R U . . .
H28A H 0.0526 0.3955 0.7230 0.054 Uiso 1 1 calc R U . . .
C29 C 0.1851(11) 0.3448(5) 0.6740(4) 0.048(2) Uani 1 1 d . . . . .
H29 H 0.2049 0.3591 0.6421 0.058 Uiso 1 1 calc R U . . .
H29A H 0.2876 0.3476 0.6944 0.058 Uiso 1 1 calc R U . . .
C30 C 0.1220(15) 0.2572(6) 0.6742(5) 0.058(3) Uani 1 1 d . . . . .
H30 H 0.1010 0.2428 0.7057 0.087 Uiso 1 1 calc R U . . .
H30A H 0.2007 0.2195 0.6644 0.087 Uiso 1 1 calc R U . . .
H30B H 0.0236 0.2532 0.6527 0.087 Uiso 1 1 calc R U . . .
C31 C -0.1048(10) 0.5723(6) 0.6629(3) 0.045(2) Uani 1 1 d . . . . .
H31 H -0.1798 0.6109 0.6748 0.054 Uiso 1 1 calc R U . . .
H31A H -0.1578 0.5183 0.6593 0.054 Uiso 1 1 calc R U . . .
C32 C -0.0738(13) 0.6018(7) 0.6147(4) 0.063(3) Uani 1 1 d . . . . .
H32 H -0.0684 0.6624 0.6149 0.076 Uiso 1 1 calc R U . . .
H32A H 0.0306 0.5810 0.6085 0.076 Uiso 1 1 calc R U . . .
C33 C -0.1973(13) 0.5751(7) 0.5759(4) 0.065(3) Uani 1 1 d . . . . .
H33 H -0.1929 0.6111 0.5486 0.078 Uiso 1 1 calc R U . . .
H33A H -0.3037 0.5808 0.5859 0.078 Uiso 1 1 calc R U . . .
C34 C -0.1717(16) 0.4858(8) 0.5620(5) 0.080(4) Uani 1 1 d . . . . .
H34 H -0.0711 0.4813 0.5491 0.120 Uiso 1 1 calc R U . . .
H34A H -0.2587 0.4687 0.5385 0.120 Uiso 1 1 calc R U . . .
H34B H -0.1689 0.4506 0.5894 0.120 Uiso 1 1 calc R U . . .
C35 C 0.1416(10) 0.6399(5) 0.6995(3) 0.043(2) Uani 1 1 d . . . . .
H35 H 0.1695 0.6476 0.6677 0.052 Uiso 1 1 calc R U . . .
H35A H 0.2415 0.6296 0.7202 0.052 Uiso 1 1 calc R U . . .
C36 C 0.0718(11) 0.7192(5) 0.7145(4) 0.051(3) Uani 1 1 d . . . . .
H36 H 0.0667 0.7175 0.7484 0.061 Uiso 1 1 calc R U . . .
H36A H -0.0376 0.7252 0.6986 0.061 Uiso 1 1 calc R U . . .
C37 C 0.1698(13) 0.7922(6) 0.7032(4) 0.056(3) Uani 1 1 d . . . . .
H37 H 0.1339 0.8410 0.7192 0.067 Uiso 1 1 calc R U . . .
H37A H 0.2818 0.7821 0.7158 0.067 Uiso 1 1 calc R U . . .
C38 C 0.1609(14) 0.8107(6) 0.6517(4) 0.069(3) Uani 1 1 d . . . . .
H38 H 0.2238 0.7704 0.6370 0.104 Uiso 1 1 calc R U . . .
H38A H 0.2028 0.8657 0.6475 0.104 Uiso 1 1 calc R U . . .
H38B H 0.0504 0.8080 0.6374 0.104 Uiso 1 1 calc R U . . .
C39 C 0.906(3) -0.1639(9) 0.4919(7) 0.163(10) Uani 1 1 d D . . . .
H39 H 0.9911 -0.1235 0.4889 0.195 Uiso 1 1 calc R U . . .
H39A H 0.8059 -0.1343 0.4939 0.195 Uiso 1 1 calc R U . . .
C40 C 0.947(2) -0.2153(11) 0.5315(5) 0.111(5) Uani 1 1 d D . . . .
H40 H 0.8529 -0.2439 0.5406 0.133 Uiso 1 1 calc R U . . .
H40A H 0.9998 -0.1842 0.5584 0.133 Uiso 1 1 calc R U . . .
C41 C 1.053(3) -0.2706(14) 0.5131(10) 0.195(16) Uani 1 1 d D . . . .
H41 H 1.1542 -0.2429 0.5095 0.234 Uiso 1 1 calc R U . . .
H41A H 1.0754 -0.3184 0.5339 0.234 Uiso 1 1 calc R U . . .
C42 C 0.976(4) -0.2947(11) 0.4703(9) 0.164(11) Uani 1 1 d . . . . .
H42 H 0.9032 -0.3408 0.4739 0.197 Uiso 1 1 calc R U . . .
H42A H 1.0536 -0.3121 0.4495 0.197 Uiso 1 1 calc R U . . .
O3 O 0.889(2) -0.2231(13) 0.4517(7) 0.188(8) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0045 0.0022 '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'
Cl Cl 0.1812 0.2072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0085 0.0044 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0146 0.0081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -3.3179 10.3664 '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
N1 C1 C2 109.8(8) . . ?
C1 C2 C3 106.5(9) . . ?
C4 C3 C2 108.4(9) . . ?
C3 C4 N1 106.4(8) . . ?
C3 C4 C5 128.6(9) . . ?
N1 C4 C5 124.8(8) . . ?
O1 C5 C6 126.2(7) . . ?
O1 C5 C4 113.9(7) . . ?
C6 C5 C4 119.9(8) . . ?
C7 C6 C5 125.3(8) . . ?
O2 C7 C6 126.2(9) . . ?
O2 C7 C8 115.9(8) . . ?
C6 C7 C8 117.9(8) . . ?
N5 C8 C43 107.2(8) . . ?
N5 C8 C7 122.0(8) . . ?
C43 C8 C7 130.8(8) . . ?
C10 N5 C8 109.4(8) . . ?
N5 C10 C11 108.6(9) . . ?
C10 C11 C43 107.5(9) . . ?
N3 C12 C13 123.3(9) . . ?
C12 C13 C14 117.0(9) . . ?
C15 C14 C13 121.2(9) . . ?
C14 C15 C16 120.1(10) . . ?
C15 C16 N3 119.9(9) . . ?
C15 C16 C17 127.7(9) . . ?
N3 C16 C17 112.4(8) . . ?
C18 C17 C22 121.9(9) . . ?
C18 C17 C16 123.8(9) . . ?
C22 C17 C16 114.2(8) . . ?
C19 C18 C17 120.4(10) . . ?
C20 C19 C18 119.7(10) . . ?
C19 C20 C21 121.3(11) . . ?
C20 C21 C22 122.7(10) . . ?
C17 C22 C21 114.1(10) . . ?
C17 C22 Pt1 115.6(6) . . ?
C21 C22 Pt1 130.3(8) . . ?
C1 N1 C4 108.9(8) . . ?
C8 C43 C11 107.3(8) . . ?
C12 N3 C16 118.5(7) . . ?
C12 N3 Pt1 125.3(6) . . ?
C16 N3 Pt1 116.1(6) . . ?
C5 O1 Pt1 125.8(5) . . ?
C7 O2 Pt1 123.9(6) . . ?
C22 Pt1 O1 92.5(3) . . ?
C22 Pt1 N3 81.5(3) . . ?
O1 Pt1 N3 173.9(3) . . ?
C22 Pt1 O2 175.5(3) . . ?
O1 Pt1 O2 91.9(2) . . ?
N3 Pt1 O2 94.1(3) . . ?
C23 N4 C35 111.1(7) . . ?
C23 N4 C31 107.0(7) . . ?
C35 N4 C31 110.0(7) . . ?
C23 N4 C27 110.9(7) . . ?
C35 N4 C27 107.2(6) . . ?
C31 N4 C27 110.7(7) . . ?
C24 C23 N4 115.9(8) . . ?
C23 C24 C25 109.9(8) . . ?
C26 C25 C24 114.1(8) . . ?
C28 C27 N4 117.1(7) . . ?
C27 C28 C29 108.9(7) . . ?
C30 C29 C28 113.0(8) . . ?
N4 C31 C32 116.2(7) . . ?
C33 C32 C31 113.9(9) . . ?
C32 C33 C34 111.3(10) . . ?
N4 C35 C36 117.0(7) . . ?
C35 C36 C37 111.3(8) . . ?
C38 C37 C36 114.3(9) . . ?
C40 C39 O3 103.5(13) . . ?
C39 C40 C41 99.8(14) . . ?
C42 C41 C40 105.5(19) . . ?
C41 C42 O3 105.2(17) . . ?
C42 O3 C39 103.7(18) . . ?
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
C1 N1 1.345(11) . ?
C1 C2 1.350(13) . ?
C2 C3 1.407(13) . ?
C3 C4 1.371(13) . ?
C4 N1 1.386(11) . ?
C4 C5 1.453(12) . ?
C5 O1 1.307(10) . ?
C5 C6 1.402(11) . ?
C6 C7 1.397(12) . ?
C7 O2 1.288(11) . ?
C7 C8 1.451(12) . ?
C8 N5 1.381(11) . ?
C8 C43 1.391(12) . ?
N5 C10 1.354(13) . ?
C10 C11 1.375(13) . ?
C11 C43 1.404(12) . ?
C12 N3 1.358(11) . ?
C12 C13 1.370(12) . ?
C13 C14 1.381(14) . ?
C14 C15 1.362(14) . ?
C15 C16 1.375(13) . ?
C16 N3 1.375(11) . ?
C16 C17 1.430(13) . ?
C17 C18 1.412(13) . ?
C17 C22 1.421(13) . ?
C18 C19 1.379(14) . ?
C19 C20 1.357(15) . ?
C20 C21 1.380(16) . ?
C21 C22 1.437(14) . ?
C22 Pt1 1.907(11) . ?
N3 Pt1 1.979(7) . ?
O1 Pt1 1.956(6) . ?
O2 Pt1 2.060(8) . ?
N4 C23 1.498(12) . ?
N4 C35 1.508(10) . ?
N4 C31 1.525(11) . ?
N4 C27 1.526(11) . ?
C23 C24 1.494(13) . ?
C24 C25 1.532(12) . ?
C25 C26 1.518(14) . ?
C27 C28 1.498(12) . ?
C28 C29 1.538(12) . ?
C29 C30 1.528(13) . ?
C31 C32 1.533(13) . ?
C32 C33 1.503(14) . ?
C33 C34 1.536(16) . ?
C35 C36 1.512(12) . ?
C36 C37 1.516(13) . ?
C37 C38 1.515(15) . ?
C39 C40 1.428(9) . ?
C39 O3 1.51(2) . ?
C40 C41 1.429(10) . ?
C41 C42 1.38(3) . ?
C42 O3 1.45(2) . ?
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
N1 C1 C2 C3 -0.1(11) . . . . ?
C1 C2 C3 C4 0.2(12) . . . . ?
C2 C3 C4 N1 -0.2(11) . . . . ?
C2 C3 C4 C5 -174.8(9) . . . . ?
C3 C4 C5 O1 -1.2(13) . . . . ?
N1 C4 C5 O1 -174.9(7) . . . . ?
C3 C4 C5 C6 178.5(9) . . . . ?
N1 C4 C5 C6 4.8(13) . . . . ?
O1 C5 C6 C7 -0.3(14) . . . . ?
C4 C5 C6 C7 -179.9(8) . . . . ?
C5 C6 C7 O2 4.3(14) . . . . ?
C5 C6 C7 C8 -176.0(8) . . . . ?
O2 C7 C8 N5 3.8(12) . . . . ?
C6 C7 C8 N5 -175.9(8) . . . . ?
O2 C7 C8 C43 -173.2(8) . . . . ?
C6 C7 C8 C43 7.1(13) . . . . ?
C43 C8 N5 C10 -1.6(10) . . . . ?
C7 C8 N5 C10 -179.2(8) . . . . ?
C8 N5 C10 C11 1.7(11) . . . . ?
N5 C10 C11 C43 -1.1(11) . . . . ?
N3 C12 C13 C14 1.3(14) . . . . ?
C12 C13 C14 C15 -0.8(16) . . . . ?
C13 C14 C15 C16 0.8(17) . . . . ?
C14 C15 C16 N3 -1.3(16) . . . . ?
C14 C15 C16 C17 178.8(10) . . . . ?
C15 C16 C17 C18 0.5(17) . . . . ?
N3 C16 C17 C18 -179.4(9) . . . . ?
C15 C16 C17 C22 -176.3(10) . . . . ?
N3 C16 C17 C22 3.8(12) . . . . ?
C22 C17 C18 C19 0.5(16) . . . . ?
C16 C17 C18 C19 -176.1(10) . . . . ?
C17 C18 C19 C20 -0.8(17) . . . . ?
C18 C19 C20 C21 0.6(18) . . . . ?
C19 C20 C21 C22 -0.1(18) . . . . ?
C18 C17 C22 C21 0.0(13) . . . . ?
C16 C17 C22 C21 176.9(8) . . . . ?
C18 C17 C22 Pt1 178.8(8) . . . . ?
C16 C17 C22 Pt1 -4.2(11) . . . . ?
C20 C21 C22 C17 -0.2(15) . . . . ?
C20 C21 C22 Pt1 -178.9(8) . . . . ?
C2 C1 N1 C4 0.0(11) . . . . ?
C3 C4 N1 C1 0.1(10) . . . . ?
C5 C4 N1 C1 175.0(8) . . . . ?
N5 C8 C43 C11 0.9(10) . . . . ?
C7 C8 C43 C11 178.2(8) . . . . ?
C10 C11 C43 C8 0.1(10) . . . . ?
C13 C12 N3 C16 -1.8(12) . . . . ?
C13 C12 N3 Pt1 -178.0(7) . . . . ?
C15 C16 N3 C12 1.7(13) . . . . ?
C17 C16 N3 C12 -178.4(7) . . . . ?
C15 C16 N3 Pt1 178.3(8) . . . . ?
C17 C16 N3 Pt1 -1.8(10) . . . . ?
C6 C5 O1 Pt1 -7.9(11) . . . . ?
C4 C5 O1 Pt1 171.7(5) . . . . ?
C6 C7 O2 Pt1 0.3(12) . . . . ?
C8 C7 O2 Pt1 -179.3(5) . . . . ?
C35 N4 C23 C24 -61.6(10) . . . . ?
C31 N4 C23 C24 178.3(8) . . . . ?
C27 N4 C23 C24 57.5(10) . . . . ?
N4 C23 C24 C25 162.6(8) . . . . ?
C23 C24 C25 C26 -179.3(8) . . . . ?
C23 N4 C27 C28 53.3(11) . . . . ?
C35 N4 C27 C28 174.8(8) . . . . ?
C31 N4 C27 C28 -65.2(10) . . . . ?
N4 C27 C28 C29 174.5(8) . . . . ?
C27 C28 C29 C30 -179.1(9) . . . . ?
C23 N4 C31 C32 167.9(8) . . . . ?
C35 N4 C31 C32 47.1(10) . . . . ?
C27 N4 C31 C32 -71.2(10) . . . . ?
N4 C31 C32 C33 154.7(9) . . . . ?
C31 C32 C33 C34 -79.3(12) . . . . ?
C23 N4 C35 C36 -52.5(11) . . . . ?
C31 N4 C35 C36 65.8(11) . . . . ?
C27 N4 C35 C36 -173.7(9) . . . . ?
N4 C35 C36 C37 -167.8(8) . . . . ?
C35 C36 C37 C38 70.0(12) . . . . ?
O3 C39 C40 C41 40(2) . . . . ?
C39 C40 C41 C42 -48(2) . . . . ?
C40 C41 C42 O3 35(3) . . . . ?
C41 C42 O3 C39 -9(2) . . . . ?
C40 C39 O3 C42 -20(2) . . . . ?
