#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:28:06 +0300 (Fri, 05 May 2023) $
#$Revision: 283325 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/21/7712102.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_7712102
loop_
_publ_author_name
'Hruzd, Mariia'
'Kahlal, Samia'
'le Poul, Nicolas'
'Wojcik, Laurianne'
'Cordier, Marie'
'Saillard, Jean-Yves'
'Rodríguez-López, Julián'
'Robin-le Guen, Françoise'
'Gauthier, Sébastien'
'Achelle, Sylvain'
_publ_section_title
;
 Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine
 N^C ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1927
_journal_page_last               1938
_journal_paper_doi               10.1039/d2dt03690h
_journal_volume                  52
_journal_year                    2023
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C34 H37 Cl N4 O Pt'
_chemical_formula_sum            'C34 H37 Cl N4 O Pt'
_chemical_formula_weight         748.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2022-10-06 deposited with the CCDC.	2023-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                98.163(5)
_cell_angle_beta                 104.652(4)
_cell_angle_gamma                101.634(5)
_cell_formula_units_Z            2
_cell_length_a                   9.0087(9)
_cell_length_b                   10.5776(12)
_cell_length_c                   17.4264(19)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.4736
_cell_measurement_theta_min      2.3690
_cell_measurement_wavelength     0.710730
_cell_volume                     1540.6(3)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2018)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 CMOS-PHOTON70
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20079
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.475
_diffrn_reflns_theta_min         2.132
_exptl_absorpt_coefficient_mu    4.674
_exptl_absorpt_correction_T_max  0.545
_exptl_absorpt_correction_T_min  0.269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.420
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.873
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         6996
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0299
_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)+(0.0373P)²+0.2767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0753
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6467
_reflns_number_total             6996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2dt03690h2.cif
_cod_data_source_block           HM244
_cod_depositor_comments
'Adding full bibliography for 7712102--7712104.cif.'
_cod_database_code               7712102
loop_
_space_group_symop_operation_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_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 0.48055(2) 0.74112(2) 0.51983(2) 0.01515(6) Uani 1 1 d . . . . .
Cl1 Cl 0.47373(11) 0.83587(9) 0.65139(5) 0.02618(19) Uani 1 1 d . . . . .
O1 O -0.0801(3) 0.9642(3) 0.36832(17) 0.0300(6) Uani 1 1 d . . . . .
N1 N 0.6669(3) 0.6635(3) 0.56025(17) 0.0171(6) Uani 1 1 d . . . . .
N2 N 0.8362(3) 0.5427(3) 0.51655(18) 0.0209(6) Uani 1 1 d . . . . .
N3 N 0.5691(4) 0.4500(3) 0.20458(18) 0.0263(7) Uani 1 1 d . . . . .
N4 N 0.2953(3) 0.8146(3) 0.47125(17) 0.0172(6) Uani 1 1 d . . . . .
C1 C 0.7470(4) 0.6730(4) 0.6377(2) 0.0221(7) Uani 1 1 d . . . . .
H1 H 0.715130 0.717694 0.679669 0.026 Uiso 1 1 calc R U . . .
C2 C 0.8745(4) 0.6189(4) 0.6574(2) 0.0264(8) Uani 1 1 d . . . . .
H2 H 0.932017 0.625201 0.712209 0.032 Uiso 1 1 calc R U . . .
C3 C 0.9158(4) 0.5548(4) 0.5941(2) 0.0244(8) Uani 1 1 d . . . . .
H3 H 1.004567 0.517770 0.606331 0.029 Uiso 1 1 calc R U . . .
C4 C 0.7129(4) 0.5958(3) 0.5015(2) 0.0164(6) Uani 1 1 d . . . . .
C5 C 0.6166(4) 0.5897(3) 0.41950(19) 0.0176(6) Uani 1 1 d . . . . .
C6 C 0.6410(4) 0.5192(3) 0.3514(2) 0.0194(7) Uani 1 1 d . . . . .
H6 H 0.721397 0.472301 0.357529 0.023 Uiso 1 1 calc R U . . .
C7 C 0.5471(4) 0.5186(4) 0.2751(2) 0.0200(7) Uani 1 1 d . . . . .
C8 C 0.4259(4) 0.5851(4) 0.2682(2) 0.0241(7) Uani 1 1 d . . . . .
H8 H 0.360932 0.585073 0.215919 0.029 Uiso 1 1 calc R U . . .
C9 C 0.3992(4) 0.6510(4) 0.3362(2) 0.0218(7) Uani 1 1 d . . . . .
H9 H 0.314369 0.693103 0.329908 0.026 Uiso 1 1 calc R U . . .
C10 C 0.4950(4) 0.6562(3) 0.4135(2) 0.0165(6) Uani 1 1 d . . . . .
C11 C 0.7156(4) 0.4739(4) 0.1885(2) 0.0250(8) Uani 1 1 d . . . . .
C12 C 0.8339(5) 0.5909(4) 0.2257(2) 0.0308(9) Uani 1 1 d . . . . .
H12 H 0.817011 0.655475 0.264113 0.037 Uiso 1 1 calc R U . . .
C13 C 0.9741(5) 0.6112(6) 0.2061(3) 0.0442(12) Uani 1 1 d . . . . .
H13 H 1.053650 0.690072 0.232108 0.053 Uiso 1 1 calc R U . . .
C14 C 1.0030(5) 0.5226(7) 0.1509(3) 0.0549(15) Uani 1 1 d . . . . .
H14 H 1.100155 0.539591 0.137656 0.066 Uiso 1 1 calc R U . . .
C15 C 0.8885(6) 0.4075(6) 0.1145(3) 0.0509(14) Uani 1 1 d . . . . .
H15 H 0.906850 0.344797 0.075569 0.061 Uiso 1 1 calc R U . . .
C16 C 0.7475(5) 0.3817(5) 0.1337(3) 0.0397(10) Uani 1 1 d . . . . .
H16 H 0.671577 0.300220 0.109223 0.048 Uiso 1 1 calc R U . . .
C17 C 0.4297(4) 0.3794(4) 0.1406(2) 0.0242(8) Uani 1 1 d . . . . .
C18 C 0.3887(5) 0.4248(5) 0.0689(2) 0.0364(10) Uani 1 1 d . . . . .
H18 H 0.454374 0.501851 0.061684 0.044 Uiso 1 1 calc R U . . .
C19 C 0.2523(6) 0.3576(6) 0.0083(3) 0.0506(13) Uani 1 1 d . . . . .
H19 H 0.224872 0.387741 -0.041036 0.061 Uiso 1 1 calc R U . . .
C20 C 0.1570(5) 0.2481(6) 0.0192(3) 0.0552(16) Uani 1 1 d . . . . .
H20 H 0.062036 0.203474 -0.022154 0.066 Uiso 1 1 calc R U . . .
C21 C 0.1972(6) 0.2018(6) 0.0894(3) 0.0517(13) Uani 1 1 d . . . . .
H21 H 0.130750 0.124697 0.096110 0.062 Uiso 1 1 calc R U . . .
C22 C 0.3362(5) 0.2681(5) 0.1511(3) 0.0360(10) Uani 1 1 d . . . . .
H22 H 0.364946 0.236093 0.199623 0.043 Uiso 1 1 calc R U . . .
C23 C 0.3078(4) 0.9061(3) 0.4243(2) 0.0197(7) Uani 1 1 d . . . . .
H23 H 0.406908 0.936277 0.414692 0.024 Uiso 1 1 calc R U . . .
C24 C 0.1848(4) 0.9568(4) 0.3903(2) 0.0224(7) Uani 1 1 d . . . . .
H24 H 0.199073 1.021821 0.358573 0.027 Uiso 1 1 calc R U . . .
C25 C 0.0368(4) 0.9116(4) 0.4028(2) 0.0215(7) Uani 1 1 d . . . . .
C26 C 0.0238(4) 0.8178(4) 0.4507(2) 0.0222(7) Uani 1 1 d . . . . .
H26 H -0.074651 0.784466 0.460147 0.027 Uiso 1 1 calc R U . . .
C27 C 0.1540(4) 0.7733(3) 0.4842(2) 0.0213(7) Uani 1 1 d . . . . .
H27 H 0.143779 0.710940 0.517968 0.026 Uiso 1 1 calc R U . . .
C28 C -0.2350(4) 0.9152(4) 0.3767(3) 0.0298(8) Uani 1 1 d . . . . .
H28A H -0.275107 0.821860 0.350141 0.045 Uiso 1 1 calc R U . . .
H28B H -0.306935 0.965506 0.351335 0.045 Uiso 1 1 calc R U . . .
H28C H -0.228383 0.924665 0.434307 0.045 Uiso 1 1 calc R U . . .
C29 C 0.265(3) 0.871(5) 0.151(2) 0.1082(16) Uani 0.267(7) 1 d D . P A 1
H29A H 0.298438 0.899620 0.210164 0.162 Uiso 0.267(7) 1 calc R U P A 1
H29B H 0.162728 0.805507 0.133976 0.162 Uiso 0.267(7) 1 calc R U P A 1
H29C H 0.253554 0.947348 0.126020 0.162 Uiso 0.267(7) 1 calc R U P A 1
C30 C 0.389(3) 0.810(2) 0.1244(19) 0.1082(16) Uani 0.267(7) 1 d D . P A 1
H30A H 0.356222 0.780570 0.064776 0.130 Uiso 0.267(7) 1 calc R U P A 1
H30B H 0.401178 0.732556 0.149212 0.130 Uiso 0.267(7) 1 calc R U P A 1
C31 C 0.547(3) 0.916(3) 0.1524(12) 0.1082(16) Uani 0.267(7) 1 d D . P A 1
H31A H 0.546788 0.987571 0.195560 0.130 Uiso 0.267(7) 1 calc R U P A 1
H31B H 0.637583 0.877475 0.172738 0.130 Uiso 0.267(7) 1 calc R U P A 1
C32 C 0.556(2) 0.967(3) 0.0749(13) 0.1082(16) Uani 0.267(7) 1 d D . P A 1
H32A H 0.489581 1.029934 0.064321 0.130 Uiso 0.267(7) 1 calc R U P A 1
H32B H 0.523763 0.893619 0.027290 0.130 Uiso 0.267(7) 1 calc R U P A 1
C33 C 0.734(3) 1.036(3) 0.0957(16) 0.1082(16) Uani 0.267(7) 1 d D . P A 1
H33A H 0.771251 1.015993 0.047795 0.130 Uiso 0.267(7) 1 calc R U P A 1
H33B H 0.748318 1.132437 0.109874 0.130 Uiso 0.267(7) 1 calc R U P A 1
C34 C 0.832(3) 0.989(4) 0.167(2) 0.1082(16) Uani 0.267(7) 1 d D . P A 1
H34A H 0.869156 1.060683 0.215293 0.162 Uiso 0.267(7) 1 calc R U P A 1
H34B H 0.922709 0.965359 0.153462 0.162 Uiso 0.267(7) 1 calc R U P A 1
H34C H 0.765668 0.912503 0.178305 0.162 Uiso 0.267(7) 1 calc R U P A 1
C29B C 0.2902(14) 0.885(2) 0.1719(7) 0.1082(16) Uani 0.733(7) 1 d D . P A 2
H29D H 0.341042 0.843296 0.214558 0.162 Uiso 0.733(7) 1 calc R U P A 2
H29E H 0.175050 0.859238 0.161748 0.162 Uiso 0.733(7) 1 calc R U P A 2
H29F H 0.327823 0.981110 0.189187 0.162 Uiso 0.733(7) 1 calc R U P A 2
C30B C 0.3318(12) 0.8404(13) 0.0938(6) 0.1082(16) Uani 0.733(7) 1 d D . P A 2
H30C H 0.321793 0.906257 0.058923 0.130 Uiso 0.733(7) 1 calc R U P A 2
H30D H 0.258714 0.754934 0.063250 0.130 Uiso 0.733(7) 1 calc R U P A 2
C31B C 0.5036(12) 0.8263(9) 0.1177(8) 0.1082(16) Uani 0.733(7) 1 d D . P A 2
H31C H 0.521923 0.777393 0.162239 0.130 Uiso 0.733(7) 1 calc R U P A 2
H31D H 0.528773 0.780232 0.070913 0.130 Uiso 0.733(7) 1 calc R U P A 2
C32B C 0.6027(13) 0.9697(10) 0.1455(8) 0.1082(16) Uani 0.733(7) 1 d D . P A 2
H32C H 0.586235 1.013218 0.195738 0.130 Uiso 0.733(7) 1 calc R U P A 2
H32D H 0.576760 1.021235 0.102903 0.130 Uiso 0.733(7) 1 calc R U P A 2
C33B C 0.7732(13) 0.9540(10) 0.1603(8) 0.1082(16) Uani 0.733(7) 1 d D . P A 2
H33C H 0.789041 0.888381 0.194886 0.130 Uiso 0.733(7) 1 calc R U P A 2
H33D H 0.790151 0.920813 0.107946 0.130 Uiso 0.733(7) 1 calc R U P A 2
C34B C 0.8943(13) 1.0860(11) 0.2017(7) 0.1082(16) Uani 0.733(7) 1 d D . P A 2
H34D H 0.867249 1.154740 0.172548 0.162 Uiso 0.733(7) 1 calc R U P A 2
H34E H 1.000446 1.077631 0.201144 0.162 Uiso 0.733(7) 1 calc R U P A 2
H34F H 0.892550 1.109789 0.257856 0.162 Uiso 0.733(7) 1 calc R U P A 2
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'
Cl Cl 0.1484 0.1585 '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'
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
C10 Pt1 N4 94.66(12) . . ?
C10 Pt1 N1 81.23(12) . . ?
N4 Pt1 N1 175.86(10) . . ?
C10 Pt1 Cl1 176.56(10) . . ?
N4 Pt1 Cl1 88.70(8) . . ?
N1 Pt1 Cl1 95.41(8) . . ?
C25 O1 C28 118.2(3) . . ?
C1 N1 C4 118.2(3) . . ?
C1 N1 Pt1 126.4(2) . . ?
C4 N1 Pt1 115.4(2) . . ?
C4 N2 C3 117.1(3) . . ?
C11 N3 C7 121.8(3) . . ?
C11 N3 C17 119.1(3) . . ?
C7 N3 C17 117.3(3) . . ?
C27 N4 C23 117.5(3) . . ?
C27 N4 Pt1 120.7(2) . . ?
C23 N4 Pt1 121.8(2) . . ?
N1 C1 C2 120.9(3) . . ?
N1 C1 H1 119.6 . . ?
C2 C1 H1 119.6 . . ?
C1 C2 C3 117.2(3) . . ?
C1 C2 H2 121.4 . . ?
C3 C2 H2 121.4 . . ?
N2 C3 C2 122.8(3) . . ?
N2 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
N2 C4 N1 123.7(3) . . ?
N2 C4 C5 122.5(3) . . ?
N1 C4 C5 113.8(3) . . ?
C6 C5 C10 122.3(3) . . ?
C6 C5 C4 122.1(3) . . ?
C10 C5 C4 115.6(3) . . ?
C7 C6 C5 119.3(3) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C6 C7 C8 119.0(3) . . ?
C6 C7 N3 121.2(3) . . ?
C8 C7 N3 119.9(3) . . ?
C9 C8 C7 121.3(3) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C8 C9 C10 120.8(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C9 C10 C5 117.2(3) . . ?
C9 C10 Pt1 128.8(3) . . ?
C5 C10 Pt1 114.0(2) . . ?
C16 C11 N3 120.3(4) . . ?
C16 C11 C12 117.8(4) . . ?
N3 C11 C12 121.9(3) . . ?
C13 C12 C11 119.6(4) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C12 122.3(5) . . ?
C14 C13 H13 118.8 . . ?
C12 C13 H13 118.8 . . ?
C13 C14 C15 118.5(4) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C16 121.2(5) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C15 C16 C11 120.5(5) . . ?
C15 C16 H16 119.8 . . ?
C11 C16 H16 119.8 . . ?
C22 C17 C18 120.3(4) . . ?
C22 C17 N3 119.3(4) . . ?
C18 C17 N3 120.4(4) . . ?
C19 C18 C17 119.9(4) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C18 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.6(4) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C22 120.1(5) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C17 C22 C21 119.2(4) . . ?
C17 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
N4 C23 C24 123.1(3) . . ?
N4 C23 H23 118.4 . . ?
C24 C23 H23 118.4 . . ?
C23 C24 C25 119.1(3) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
O1 C25 C26 125.3(3) . . ?
O1 C25 C24 116.9(3) . . ?
C26 C25 C24 117.8(3) . . ?
C27 C26 C25 119.8(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
N4 C27 C26 122.7(3) . . ?
N4 C27 H27 118.6 . . ?
C26 C27 H27 118.6 . . ?
O1 C28 H28A 109.5 . . ?
O1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C29 C30 C31 107.8(10) . . ?
C29 C30 H30A 110.1 . . ?
C31 C30 H30A 110.1 . . ?
C29 C30 H30B 110.1 . . ?
C31 C30 H30B 110.1 . . ?
H30A C30 H30B 108.5 . . ?
C32 C31 C30 103.2(10) . . ?
C32 C31 H31A 111.1 . . ?
C30 C31 H31A 111.1 . . ?
C32 C31 H31B 111.1 . . ?
C30 C31 H31B 111.1 . . ?
H31A C31 H31B 109.1 . . ?
C31 C32 C33 102.1(8) . . ?
C31 C32 H32A 111.3 . . ?
C33 C32 H32A 111.3 . . ?
C31 C32 H32B 111.3 . . ?
C33 C32 H32B 111.3 . . ?
H32A C32 H32B 109.2 . . ?
C34 C33 C32 110.9(9) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.0 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30B C29B H29D 109.5 . . ?
C30B C29B H29E 109.5 . . ?
H29D C29B H29E 109.5 . . ?
C30B C29B H29F 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C29B C30B C31B 108.0(9) . . ?
C29B C30B H30C 110.1 . . ?
C31B C30B H30C 110.1 . . ?
C29B C30B H30D 110.1 . . ?
C31B C30B H30D 110.1 . . ?
H30C C30B H30D 108.4 . . ?
C32B C31B C30B 103.4(9) . . ?
C32B C31B H31C 111.1 . . ?
C30B C31B H31C 111.1 . . ?
C32B C31B H31D 111.1 . . ?
C30B C31B H31D 111.1 . . ?
H31C C31B H31D 109.1 . . ?
C31B C32B C33B 102.5(7) . . ?
C31B C32B H32C 111.3 . . ?
C33B C32B H32C 111.3 . . ?
C31B C32B H32D 111.3 . . ?
C33B C32B H32D 111.3 . . ?
H32C C32B H32D 109.2 . . ?
C34B C33B C32B 111.0(9) . . ?
C34B C33B H33C 109.4 . . ?
C32B C33B H33C 109.4 . . ?
C34B C33B H33D 109.4 . . ?
C32B C33B H33D 109.4 . . ?
H33C C33B H33D 108.0 . . ?
C33B C34B H34D 109.5 . . ?
C33B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C33B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
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 C10 1.988(3) . ?
Pt1 N4 2.025(3) . ?
Pt1 N1 2.028(3) . ?
Pt1 Cl1 2.3890(9) . ?
O1 C25 1.338(4) . ?
O1 C28 1.439(4) . ?
N1 C1 1.339(4) . ?
N1 C4 1.363(4) . ?
N2 C4 1.329(4) . ?
N2 C3 1.334(5) . ?
N3 C11 1.399(4) . ?
N3 C7 1.416(4) . ?
N3 C17 1.433(5) . ?
N4 C27 1.346(4) . ?
N4 C23 1.359(4) . ?
C1 C2 1.374(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.382(5) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.456(5) . ?
C5 C6 1.400(4) . ?
C5 C10 1.407(5) . ?
C6 C7 1.381(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.403(5) . ?
C8 C9 1.388(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(5) . ?
C9 H9 0.9500 . ?
C11 C16 1.391(6) . ?
C11 C12 1.407(6) . ?
C12 C13 1.374(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.357(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.375(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.377(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.368(6) . ?
C17 C18 1.391(6) . ?
C18 C19 1.382(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.363(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.373(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.403(6) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.366(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.405(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(5) . ?
C26 C27 1.376(5) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.538(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.541(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.538(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.539(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.538(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C29B C30B 1.538(3) . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B C31B 1.541(3) . ?
C30B H30C 0.9900 . ?
C30B H30D 0.9900 . ?
C31B C32B 1.536(3) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C32B C33B 1.539(3) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
C33B C34B 1.537(3) . ?
C33B H33C 0.9900 . ?
C33B H33D 0.9900 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
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
C4 N1 C1 C2 1.6(5) . . . . ?
Pt1 N1 C1 C2 -178.2(3) . . . . ?
N1 C1 C2 C3 0.0(5) . . . . ?
C4 N2 C3 C2 0.2(5) . . . . ?
C1 C2 C3 N2 -0.9(6) . . . . ?
C3 N2 C4 N1 1.6(5) . . . . ?
C3 N2 C4 C5 179.9(3) . . . . ?
C1 N1 C4 N2 -2.5(5) . . . . ?
Pt1 N1 C4 N2 177.3(3) . . . . ?
C1 N1 C4 C5 179.1(3) . . . . ?
Pt1 N1 C4 C5 -1.1(4) . . . . ?
N2 C4 C5 C6 4.6(5) . . . . ?
N1 C4 C5 C6 -176.9(3) . . . . ?
N2 C4 C5 C10 -177.0(3) . . . . ?
N1 C4 C5 C10 1.4(4) . . . . ?
C10 C5 C6 C7 2.6(5) . . . . ?
C4 C5 C6 C7 -179.1(3) . . . . ?
C5 C6 C7 C8 -2.1(5) . . . . ?
C5 C6 C7 N3 179.2(3) . . . . ?
C11 N3 C7 C6 -55.4(5) . . . . ?
C17 N3 C7 C6 139.7(4) . . . . ?
C11 N3 C7 C8 125.9(4) . . . . ?
C17 N3 C7 C8 -38.9(5) . . . . ?
C6 C7 C8 C9 0.0(5) . . . . ?
N3 C7 C8 C9 178.6(3) . . . . ?
C7 C8 C9 C10 1.8(6) . . . . ?
C8 C9 C10 C5 -1.4(5) . . . . ?
C8 C9 C10 Pt1 -179.1(3) . . . . ?
C6 C5 C10 C9 -0.8(5) . . . . ?
C4 C5 C10 C9 -179.2(3) . . . . ?
C6 C5 C10 Pt1 177.3(3) . . . . ?
C4 C5 C10 Pt1 -1.1(4) . . . . ?
C7 N3 C11 C16 160.9(4) . . . . ?
C17 N3 C11 C16 -34.5(6) . . . . ?
C7 N3 C11 C12 -19.8(6) . . . . ?
C17 N3 C11 C12 144.8(4) . . . . ?
C16 C11 C12 C13 1.1(6) . . . . ?
N3 C11 C12 C13 -178.2(4) . . . . ?
C11 C12 C13 C14 0.8(7) . . . . ?
C12 C13 C14 C15 -1.2(7) . . . . ?
C13 C14 C15 C16 -0.3(8) . . . . ?
C14 C15 C16 C11 2.2(7) . . . . ?
N3 C11 C16 C15 176.8(4) . . . . ?
C12 C11 C16 C15 -2.5(6) . . . . ?
C11 N3 C17 C22 124.4(4) . . . . ?
C7 N3 C17 C22 -70.3(5) . . . . ?
C11 N3 C17 C18 -56.5(5) . . . . ?
C7 N3 C17 C18 108.8(4) . . . . ?
C22 C17 C18 C19 0.4(6) . . . . ?
N3 C17 C18 C19 -178.6(4) . . . . ?
C17 C18 C19 C20 0.9(7) . . . . ?
C18 C19 C20 C21 -1.5(8) . . . . ?
C19 C20 C21 C22 0.8(8) . . . . ?
C18 C17 C22 C21 -1.1(6) . . . . ?
N3 C17 C22 C21 178.0(4) . . . . ?
C20 C21 C22 C17 0.5(7) . . . . ?
C27 N4 C23 C24 -0.1(5) . . . . ?
Pt1 N4 C23 C24 179.6(3) . . . . ?
N4 C23 C24 C25 -1.1(6) . . . . ?
C28 O1 C25 C26 -4.0(6) . . . . ?
C28 O1 C25 C24 177.0(3) . . . . ?
C23 C24 C25 O1 180.0(3) . . . . ?
C23 C24 C25 C26 0.9(5) . . . . ?
O1 C25 C26 C27 -178.6(3) . . . . ?
C24 C25 C26 C27 0.4(5) . . . . ?
C23 N4 C27 C26 1.5(5) . . . . ?
Pt1 N4 C27 C26 -178.2(3) . . . . ?
C25 C26 C27 N4 -1.7(6) . . . . ?
C29 C30 C31 C32 -100(3) . . . . ?
C30 C31 C32 C33 -162(2) . . . . ?
C31 C32 C33 C34 18(4) . . . . ?
C29B C30B C31B C32B -72.7(14) . . . . ?
C30B C31B C32B C33B -174.2(10) . . . . ?
C31B C32B C33B C34B -171.0(11) . . . . ?
