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#$Date: 2024-10-06 10:05:45 +0300 (Sun, 06 Oct 2024) $
#$Revision: 295189 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/25/1572569.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_1572569
loop_
_publ_author_name
'Ota, Seiya'
'Soto, Miguel A.'
'Patrick, Brian O.'
'Kamal, Saeid'
'Lelj, Francesco'
'MacLachlan, Mark J.'
_publ_section_title
;
 π-Extended ligands with dual-binding behavior: hindered rotation
 unlocks unexpected reactivity in cyclometalated Pt complexes.
;
_journal_issue                   36
_journal_name_full               'Chemical science'
_journal_page_first              14644
_journal_page_last               14650
_journal_paper_doi               10.1039/d4sc04799k
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C38 H24 N2 Pt'
_chemical_formula_sum            'C38 H24 N2 Pt'
_chemical_formula_weight         703.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-04-03
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-05-21 deposited with the CCDC.	2024-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.319(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.067(3)
_cell_length_b                   7.9171(12)
_cell_length_c                   19.976(3)
_cell_measurement_reflns_used    9849
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.06
_cell_measurement_theta_min      2.20
_cell_volume                     2646.7(7)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0780
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41827
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.102
_diffrn_reflns_theta_min         2.079
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.334
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1292 before and 0.0763 after correction.
The ratio of minimum to maximum transmission is 0.4281.
The λ/2 correction factor is not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_description       blade
_exptl_crystal_F_000             1376
_exptl_crystal_recrystallization_method
'The material was recrystallised from DCM by slow evaporation'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         4.582
_refine_diff_density_min         -2.144
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6347
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0226P)²+38.2889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1211
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4853
_reflns_number_total             6347
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc04799k2.cif
_cod_data_source_block           mm582
_cod_depositor_comments
'Adding full bibliography for 1572565--1572572.cif.'
_cod_original_cell_volume        2646.6(7)
_cod_database_code               1572569
_shelx_shelxl_version_number     2019/1
_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_max   0.856
_shelx_estimated_absorpt_t_min   0.280
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C17(H17), C18(H18), C20(H20), C22(H22), C23(H23), C27(H27),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C36(H36), C37(H37)
;
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id ANTIPtII55
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pt1 Pt 0.54013(2) 0.78683(4) 0.32487(2) 0.01981(9) Uani 1 1 d . . . . .
N1 N 0.6547(4) 0.8108(9) 0.2992(3) 0.0214(14) Uani 1 1 d . . . . .
N2 N 0.4611(4) 0.8022(8) 0.2304(3) 0.0196(13) Uani 1 1 d . . . . .
C1 C 0.6696(6) 0.9031(11) 0.2462(4) 0.0276(18) Uani 1 1 d . . . . .
H1 H 0.626794 0.925484 0.209065 0.033 Uiso 1 1 calc R U . . .
C2 C 0.7447(6) 0.9667(11) 0.2434(4) 0.030(2) Uani 1 1 d . . . . .
H2 H 0.753641 1.025908 0.204219 0.036 Uiso 1 1 calc R U . . .
C3 C 0.8063(5) 0.9422(12) 0.2988(4) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.857866 0.987403 0.298879 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7915(5) 0.8500(12) 0.3545(4) 0.0270(17) Uani 1 1 d . . . . .
H4 H 0.832843 0.834773 0.393431 0.032 Uiso 1 1 calc R U . . .
C5 C 0.7161(5) 0.7799(11) 0.3531(3) 0.0214(15) Uani 1 1 d . . . . .
C6 C 0.6908(5) 0.6850(9) 0.4094(4) 0.0184(15) Uani 1 1 d . . . . .
C7 C 0.7433(5) 0.5760(11) 0.4554(4) 0.0228(16) Uani 1 1 d . . . . .
C8 C 0.8191(5) 0.5229(11) 0.4460(4) 0.0240(17) Uani 1 1 d . . . . .
H8 H 0.839934 0.569331 0.409256 0.029 Uiso 1 1 calc R U . . .
C9 C 0.8651(5) 0.4037(11) 0.4888(4) 0.0253(17) Uani 1 1 d . . . . .
C10 C 0.9393(5) 0.3420(13) 0.4764(4) 0.033(2) Uani 1 1 d . . . . .
H10 H 0.958644 0.382190 0.437841 0.040 Uiso 1 1 calc R U . . .
C11 C 0.9830(5) 0.2265(14) 0.5186(5) 0.036(2) Uani 1 1 d . . . . .
H11 H 1.032013 0.186088 0.508820 0.043 Uiso 1 1 calc R U . . .
C12 C 0.9557(6) 0.1657(12) 0.5774(4) 0.035(2) Uani 1 1 d . . . . .
H12 H 0.986675 0.085835 0.606863 0.042 Uiso 1 1 calc R U . . .
C13 C 0.8847(5) 0.2231(12) 0.5911(4) 0.0296(18) Uani 1 1 d . . . . .
H13 H 0.867552 0.184011 0.630838 0.036 Uiso 1 1 calc R U . . .
C14 C 0.8363(5) 0.3398(11) 0.5472(4) 0.0253(17) Uani 1 1 d . . . . .
C15 C 0.7600(5) 0.3899(11) 0.5563(4) 0.0260(18) Uani 1 1 d . . . . .
H15 H 0.740097 0.346512 0.594049 0.031 Uiso 1 1 calc R U . . .
C16 C 0.7127(5) 0.5008(11) 0.5117(3) 0.0207(16) Uani 1 1 d . . . . .
C17 C 0.6319(5) 0.5314(10) 0.5168(4) 0.0213(16) Uani 1 1 d . . . . .
H17 H 0.612644 0.490138 0.555171 0.026 Uiso 1 1 calc R U . . .
C18 C 0.5813(5) 0.6198(10) 0.4669(4) 0.0215(16) Uani 1 1 d . . . . .
H18 H 0.526478 0.629690 0.469523 0.026 Uiso 1 1 calc R U . . .
C19 C 0.6092(5) 0.6977(11) 0.4106(4) 0.0222(16) Uani 1 1 d . . . . .
C20 C 0.4818(5) 0.7480(8) 0.1723(4) 0.0207(17) Uani 1 1 d . . . . .
H20 H 0.536788 0.732277 0.171303 0.025 Uiso 1 1 calc R U . . .
C21 C 0.4249(6) 0.7144(13) 0.1136(4) 0.0308(19) Uani 1 1 d . . . . .
H21 H 0.445(6) 0.687(13) 0.082(5) 0.037 Uiso 1 1 d . U . . .
C22 C 0.3456(5) 0.7297(11) 0.1161(4) 0.0262(17) Uani 1 1 d . . . . .
H22 H 0.305794 0.705467 0.076888 0.031 Uiso 1 1 calc R U . . .
C23 C 0.3238(5) 0.7814(11) 0.1767(3) 0.0230(15) Uani 1 1 d . . . . .
H23 H 0.268865 0.788101 0.179194 0.028 Uiso 1 1 calc R U . . .
C24 C 0.3821(5) 0.8233(9) 0.2339(4) 0.0198(16) Uani 1 1 d . . . . .
C25 C 0.3710(5) 0.8737(10) 0.3031(3) 0.0205(16) Uani 1 1 d . . . . .
C26 C 0.3012(5) 0.9610(10) 0.3179(3) 0.0195(15) Uani 1 1 d . . . . .
C27 C 0.2315(5) 1.0000(10) 0.2700(4) 0.0221(16) Uani 1 1 d . . . . .
H27 H 0.227697 0.964176 0.224130 0.027 Uiso 1 1 calc R U . . .
C28 C 0.1671(5) 1.0899(11) 0.2873(4) 0.0231(17) Uani 1 1 d . . . . .
C29 C 0.0951(5) 1.1217(13) 0.2391(4) 0.030(2) Uani 1 1 d . . . . .
H29 H 0.089828 1.080940 0.193707 0.036 Uiso 1 1 calc R U . . .
C30 C 0.0340(5) 1.2091(14) 0.2570(4) 0.037(2) Uani 1 1 d . . . . .
H30 H -0.013796 1.226267 0.224286 0.045 Uiso 1 1 calc R U . . .
C31 C 0.0406(5) 1.2755(14) 0.3241(4) 0.039(2) Uani 1 1 d . . . . .
H31 H -0.002225 1.338739 0.335498 0.047 Uiso 1 1 calc R U . . .
C32 C 0.1083(6) 1.2486(12) 0.3721(4) 0.033(2) Uani 1 1 d . . . . .
H32 H 0.112517 1.293909 0.416744 0.040 Uiso 1 1 calc R U . . .
C33 C 0.1727(5) 1.1527(12) 0.3556(4) 0.0258(17) Uani 1 1 d . . . . .
C34 C 0.2414(5) 1.1131(11) 0.4035(4) 0.0234(17) Uani 1 1 d . . . . .
H34 H 0.245510 1.151543 0.449115 0.028 Uiso 1 1 calc R U . . .
C35 C 0.3042(5) 1.0196(10) 0.3871(4) 0.0219(16) Uani 1 1 d . . . . .
C36 C 0.3736(5) 0.9841(9) 0.4381(3) 0.0201(16) Uani 1 1 d . . . . .
H36 H 0.375337 1.020811 0.483653 0.024 Uiso 1 1 calc R U . . .
C37 C 0.4370(5) 0.8991(10) 0.4230(3) 0.0215(16) Uani 1 1 d . . . . .
H37 H 0.481481 0.875401 0.458471 0.026 Uiso 1 1 calc R U . . .
C38 C 0.4385(4) 0.8436(10) 0.3539(3) 0.0196(15) 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 0.0033 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
N2 Pt1 N1 103.7(2) . . ?
C19 Pt1 N1 79.9(3) . . ?
C19 Pt1 N2 162.7(3) . . ?
C38 Pt1 N1 161.5(3) . . ?
C38 Pt1 N2 78.8(3) . . ?
C38 Pt1 C19 103.3(3) . . ?
C1 N1 Pt1 124.2(6) . . ?
C1 N1 C5 118.7(7) . . ?
C5 N1 Pt1 113.1(4) . . ?
C20 N2 Pt1 121.7(5) . . ?
C20 N2 C24 120.5(6) . . ?
C24 N2 Pt1 115.3(4) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.0(8) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.7(7) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 119.0(8) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(8) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 120.3(7) . . ?
N1 C5 C6 113.3(7) . . ?
C4 C5 C6 126.1(7) . . ?
C7 C6 C5 123.4(7) . . ?
C19 C6 C5 114.4(7) . . ?
C19 C6 C7 121.9(7) . . ?
C6 C7 C16 117.7(7) . . ?
C8 C7 C6 124.6(7) . . ?
C8 C7 C16 117.3(7) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(7) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 C10 122.3(7) . . ?
C8 C9 C14 119.2(7) . . ?
C10 C9 C14 118.5(8) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.4(8) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(8) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.7(8) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C14 121.5(8) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 C9 118.5(8) . . ?
C15 C14 C9 118.4(7) . . ?
C15 C14 C13 123.0(7) . . ?
C14 C15 H15 118.9 . . ?
C16 C15 C14 122.1(7) . . ?
C16 C15 H15 118.9 . . ?
C15 C16 C7 120.1(7) . . ?
C15 C16 C17 120.7(7) . . ?
C17 C16 C7 119.0(7) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(7) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 119.1 . . ?
C17 C18 C19 121.7(7) . . ?
C19 C18 H18 119.1 . . ?
C6 C19 Pt1 115.4(5) . . ?
C6 C19 C18 117.6(7) . . ?
C18 C19 Pt1 125.9(6) . . ?
N2 C20 H20 119.1 . . ?
N2 C20 C21 121.8(8) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 H21 112(7) . . ?
C22 C21 C20 119.0(7) . . ?
C22 C21 H21 129(7) . . ?
C21 C22 H22 120.3 . . ?
C21 C22 C23 119.4(7) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.6(7) . . ?
C24 C23 H23 119.7 . . ?
N2 C24 C23 118.6(7) . . ?
N2 C24 C25 112.6(6) . . ?
C23 C24 C25 128.5(7) . . ?
C26 C25 C24 125.0(7) . . ?
C38 C25 C24 113.1(7) . . ?
C38 C25 C26 121.6(6) . . ?
C27 C26 C25 125.7(6) . . ?
C27 C26 C35 116.4(7) . . ?
C35 C26 C25 117.9(7) . . ?
C26 C27 H27 118.6 . . ?
C26 C27 C28 122.7(7) . . ?
C28 C27 H27 118.6 . . ?
C27 C28 C29 122.2(7) . . ?
C27 C28 C33 119.9(7) . . ?
C29 C28 C33 117.8(7) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121.1(8) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.5 . . ?
C29 C30 C31 120.9(8) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(9) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.3(8) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C28 119.6(7) . . ?
C34 C33 C28 117.5(7) . . ?
C34 C33 C32 122.9(7) . . ?
C33 C34 H34 118.7 . . ?
C35 C34 C33 122.7(7) . . ?
C35 C34 H34 118.7 . . ?
C34 C35 C26 120.6(7) . . ?
C34 C35 C36 120.3(7) . . ?
C36 C35 C26 119.1(7) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 C35 121.6(7) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 H37 119.2 . . ?
C36 C37 C38 121.6(7) . . ?
C38 C37 H37 119.2 . . ?
C25 C38 Pt1 118.0(5) . . ?
C25 C38 C37 118.2(7) . . ?
C37 C38 Pt1 121.6(5) . . ?
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 N1 2.125(6) . ?
Pt1 N2 2.096(6) . ?
Pt1 C19 2.007(8) . ?
Pt1 C38 1.986(7) . ?
N1 C1 1.352(9) . ?
N1 C5 1.369(10) . ?
N2 C20 1.349(9) . ?
N2 C24 1.374(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.388(13) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.395(11) . ?
C4 H4 0.9500 . ?
C4 C5 1.397(11) . ?
C5 C6 1.485(10) . ?
C6 C7 1.437(11) . ?
C6 C19 1.402(11) . ?
C7 C8 1.407(11) . ?
C7 C16 1.458(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.405(12) . ?
C9 C10 1.423(12) . ?
C9 C14 1.445(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.363(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.430(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.371(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.422(12) . ?
C14 C15 1.407(11) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(11) . ?
C16 C17 1.422(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.442(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(11) . ?
C21 H21 0.81(10) . ?
C21 C22 1.369(13) . ?
C22 H22 0.9500 . ?
C22 C23 1.396(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.399(10) . ?
C24 C25 1.487(9) . ?
C25 C26 1.457(11) . ?
C25 C38 1.397(10) . ?
C26 C27 1.406(10) . ?
C26 C35 1.450(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.408(11) . ?
C28 C29 1.428(11) . ?
C28 C33 1.437(10) . ?
C29 H29 0.9500 . ?
C29 C30 1.356(13) . ?
C30 H30 0.9500 . ?
C30 C31 1.424(13) . ?
C31 H31 0.9500 . ?
C31 C32 1.366(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.426(12) . ?
C33 C34 1.396(11) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(11) . ?
C35 C36 1.430(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.357(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.454(9) . ?
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
Pt1 N1 C1 C2 156.5(6) . . . . ?
Pt1 N1 C5 C4 -155.2(6) . . . . ?
Pt1 N1 C5 C6 18.6(8) . . . . ?
Pt1 N2 C20 C21 162.1(6) . . . . ?
Pt1 N2 C24 C23 -159.8(6) . . . . ?
Pt1 N2 C24 C25 14.4(8) . . . . ?
N1 C1 C2 C3 -3.4(13) . . . . ?
N1 C5 C6 C7 151.9(7) . . . . ?
N1 C5 C6 C19 -22.5(10) . . . . ?
N2 C20 C21 C22 -2.9(13) . . . . ?
N2 C24 C25 C26 157.3(7) . . . . ?
N2 C24 C25 C38 -17.0(10) . . . . ?
C1 N1 C5 C4 3.2(11) . . . . ?
C1 N1 C5 C6 177.0(7) . . . . ?
C1 C2 C3 C4 2.0(13) . . . . ?
C2 C3 C4 C5 1.8(13) . . . . ?
C3 C4 C5 N1 -4.5(13) . . . . ?
C3 C4 C5 C6 -177.4(8) . . . . ?
C4 C5 C6 C7 -34.7(12) . . . . ?
C4 C5 C6 C19 150.8(8) . . . . ?
C5 N1 C1 C2 0.8(12) . . . . ?
C5 C6 C7 C8 -11.6(12) . . . . ?
C5 C6 C7 C16 175.3(7) . . . . ?
C5 C6 C19 Pt1 15.3(9) . . . . ?
C5 C6 C19 C18 -175.3(7) . . . . ?
C6 C7 C8 C9 -173.8(8) . . . . ?
C6 C7 C16 C15 177.8(7) . . . . ?
C6 C7 C16 C17 3.1(11) . . . . ?
C7 C6 C19 Pt1 -159.2(6) . . . . ?
C7 C6 C19 C18 10.1(11) . . . . ?
C7 C8 C9 C10 175.7(8) . . . . ?
C7 C8 C9 C14 -3.7(12) . . . . ?
C7 C16 C17 C18 4.8(12) . . . . ?
C8 C7 C16 C15 4.1(11) . . . . ?
C8 C7 C16 C17 -170.6(7) . . . . ?
C8 C9 C10 C11 180.0(9) . . . . ?
C8 C9 C14 C13 -178.2(8) . . . . ?
C8 C9 C14 C15 4.7(12) . . . . ?
C9 C10 C11 C12 -0.8(15) . . . . ?
C9 C14 C15 C16 -1.3(12) . . . . ?
C10 C9 C14 C13 2.4(12) . . . . ?
C10 C9 C14 C15 -174.7(8) . . . . ?
C10 C11 C12 C13 0.5(15) . . . . ?
C11 C12 C13 C14 1.4(14) . . . . ?
C12 C13 C14 C9 -2.8(13) . . . . ?
C12 C13 C14 C15 174.2(9) . . . . ?
C13 C14 C15 C16 -178.3(8) . . . . ?
C14 C9 C10 C11 -0.6(14) . . . . ?
C14 C15 C16 C7 -3.2(12) . . . . ?
C14 C15 C16 C17 171.5(8) . . . . ?
C15 C16 C17 C18 -169.9(8) . . . . ?
C16 C7 C8 C9 -0.7(12) . . . . ?
C16 C17 C18 C19 -5.5(12) . . . . ?
C17 C18 C19 Pt1 166.2(6) . . . . ?
C17 C18 C19 C6 -1.9(12) . . . . ?
C19 C6 C7 C8 162.4(8) . . . . ?
C19 C6 C7 C16 -10.7(11) . . . . ?
C20 N2 C24 C23 2.4(11) . . . . ?
C20 N2 C24 C25 176.6(6) . . . . ?
C20 C21 C22 C23 1.1(14) . . . . ?
C21 C22 C23 C24 2.4(13) . . . . ?
C22 C23 C24 N2 -4.1(12) . . . . ?
C22 C23 C24 C25 -177.3(8) . . . . ?
C23 C24 C25 C26 -29.2(13) . . . . ?
C23 C24 C25 C38 156.5(8) . . . . ?
C24 N2 C20 C21 1.1(11) . . . . ?
C24 C25 C26 C27 4.8(13) . . . . ?
C24 C25 C26 C35 -172.5(7) . . . . ?
C24 C25 C38 Pt1 12.1(9) . . . . ?
C24 C25 C38 C37 175.6(7) . . . . ?
C25 C26 C27 C28 -177.8(8) . . . . ?
C25 C26 C35 C34 175.9(7) . . . . ?
C25 C26 C35 C36 -2.4(11) . . . . ?
C26 C25 C38 Pt1 -162.4(6) . . . . ?
C26 C25 C38 C37 1.1(12) . . . . ?
C26 C27 C28 C29 -176.9(8) . . . . ?
C26 C27 C28 C33 2.9(12) . . . . ?
C26 C35 C36 C37 1.0(12) . . . . ?
C27 C26 C35 C34 -1.6(11) . . . . ?
C27 C26 C35 C36 -179.9(7) . . . . ?
C27 C28 C29 C30 -179.8(9) . . . . ?
C27 C28 C33 C32 177.9(8) . . . . ?
C27 C28 C33 C34 -3.3(12) . . . . ?
C28 C29 C30 C31 1.5(15) . . . . ?
C28 C33 C34 C35 1.3(12) . . . . ?
C29 C28 C33 C32 -2.3(12) . . . . ?
C29 C28 C33 C34 176.5(8) . . . . ?
C29 C30 C31 C32 -1.5(16) . . . . ?
C30 C31 C32 C33 -0.5(15) . . . . ?
C31 C32 C33 C28 2.4(14) . . . . ?
C31 C32 C33 C34 -176.4(9) . . . . ?
C32 C33 C34 C35 -179.9(8) . . . . ?
C33 C28 C29 C30 0.4(13) . . . . ?
C33 C34 C35 C26 1.1(12) . . . . ?
C33 C34 C35 C36 179.4(8) . . . . ?
C34 C35 C36 C37 -177.3(8) . . . . ?
C35 C26 C27 C28 -0.5(12) . . . . ?
C35 C36 C37 C38 1.6(12) . . . . ?
C36 C37 C38 Pt1 160.3(6) . . . . ?
C36 C37 C38 C25 -2.6(12) . . . . ?
C38 C25 C26 C27 178.6(8) . . . . ?
C38 C25 C26 C35 1.3(11) . . . . ?
