#------------------------------------------------------------------------------
#$Date: 2021-02-05 00:28:58 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261528 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/76/7127624.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_7127624
loop_
_publ_author_name
'Hagui, Wided'
'Cordier, Marie'
'Boixel, Julien'
'Soulé, Jean-François'
_publ_section_title
;
 Access to functionalized luminescent Pt(ii) complexes by
 photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1038
_journal_page_last               1041
_journal_paper_doi               10.1039/d0cc07307e
_journal_volume                  57
_journal_year                    2021
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C30 H37 Cl N2 O2 Pt'
_chemical_formula_sum            'C30 H37 Cl N2 O2 Pt'
_chemical_formula_weight         688.15
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-02-12 deposited with the CCDC.	2020-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.022(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7019(7)
_cell_length_b                   19.1155(15)
_cell_length_c                   14.6419(11)
_cell_measurement_reflns_used    9516
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.6980
_cell_measurement_theta_min      2.5467
_cell_measurement_wavelength     0.71073
_cell_volume                     2708.8(4)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2019)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.0272055
_diffrn_orient_matrix_UB_12      -0.0043428
_diffrn_orient_matrix_UB_13      0.0669072
_diffrn_orient_matrix_UB_21      -0.0025058
_diffrn_orient_matrix_UB_22      0.0520732
_diffrn_orient_matrix_UB_23      0.0062091
_diffrn_orient_matrix_UB_31      -0.0996494
_diffrn_orient_matrix_UB_32      -0.0024951
_diffrn_orient_matrix_UB_33      0.0131307
_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  0.0401
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29132
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.986
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    5.309
_exptl_absorpt_correction_T_max  0.690
_exptl_absorpt_correction_T_min  0.488
_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    1.687
_exptl_crystal_description       stick
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.670
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_refine_diff_density_max         4.583
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0284P)²+16.2706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0750
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5251
_reflns_number_total             6197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc07307e2.cif
_cod_data_source_block           WH215
_cod_depositor_comments
'Adding full bibliography for 7127620--7127626.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127624
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
Pt1 Pt 0.88201(2) 0.05388(2) -0.06682(2) 0.01478(6) Uani 1 1 d . . . . .
Cl1 Cl 0.78066(12) -0.02538(6) -0.17095(8) 0.0269(2) Uani 1 1 d . . . . .
O1 O 0.3245(4) -0.32832(19) 0.0455(3) 0.0334(8) Uani 1 1 d . . . . .
O2 O 0.5431(4) -0.29196(18) 0.0718(3) 0.0355(9) Uani 1 1 d . . . . .
N1 N 0.7843(3) 0.03745(18) 0.0629(2) 0.0146(7) Uani 1 1 d . . . . .
N2 N 0.9707(3) 0.12669(17) 0.0112(2) 0.0131(7) Uani 1 1 d . . . . .
C1 C 0.6868(4) -0.0086(2) 0.0873(3) 0.0144(8) Uani 1 1 d . . . . .
C2 C 0.6361(4) -0.0064(2) 0.1740(3) 0.0168(8) Uani 1 1 d . . . . .
H2 H 0.567504 -0.039122 0.188861 0.020 Uiso 1 1 calc R U . . .
C3 C 0.6830(4) 0.0424(2) 0.2392(3) 0.0164(8) Uani 1 1 d . . . . .
C4 C 0.7854(4) 0.0884(2) 0.2137(3) 0.0179(8) Uani 1 1 d . . . . .
H4 H 0.822218 0.122331 0.256109 0.021 Uiso 1 1 calc R U . . .
C5 C 0.8333(4) 0.0848(2) 0.1274(3) 0.0144(8) Uani 1 1 d . . . . .
C6 C 0.6262(5) 0.0488(2) 0.3337(3) 0.0204(9) Uani 1 1 d . . . . .
C7 C 0.5371(6) -0.0145(3) 0.3553(3) 0.0303(11) Uani 1 1 d . . . . .
H7A H 0.466850 -0.022101 0.304878 0.045 Uiso 1 1 calc R U . . .
H7B H 0.491735 -0.005781 0.411967 0.045 Uiso 1 1 calc R U . . .
H7C H 0.595707 -0.056159 0.362970 0.045 Uiso 1 1 calc R U . . .
C8 C 0.5369(6) 0.1152(3) 0.3343(4) 0.0336(12) Uani 1 1 d . . . . .
H8A H 0.452962 0.108452 0.293983 0.050 Uiso 1 1 calc R U . . .
H8B H 0.589247 0.154930 0.312547 0.050 Uiso 1 1 calc R U . . .
H8C H 0.511473 0.124425 0.396780 0.050 Uiso 1 1 calc R U . . .
C9 C 0.7451(6) 0.0539(3) 0.4078(3) 0.0292(11) Uani 1 1 d . . . . .
H9A H 0.707710 0.054360 0.468310 0.044 Uiso 1 1 calc R U . . .
H9B H 0.797048 0.097110 0.399358 0.044 Uiso 1 1 calc R U . . .
H9C H 0.806539 0.013572 0.403309 0.044 Uiso 1 1 calc R U . . .
C10 C 0.9392(4) 0.1344(2) 0.0981(3) 0.0137(8) Uani 1 1 d . . . . .
C11 C 1.0031(4) 0.1862(2) 0.1530(3) 0.0164(8) Uani 1 1 d . . . . .
H11 H 0.980868 0.191137 0.214866 0.020 Uiso 1 1 calc R U . . .
C12 C 1.1000(4) 0.2311(2) 0.1172(3) 0.0157(8) Uani 1 1 d . . . . .
C13 C 1.1291(4) 0.2213(2) 0.0262(3) 0.0168(8) Uani 1 1 d . . . . .
H13 H 1.194477 0.250702 -0.000177 0.020 Uiso 1 1 calc R U . . .
C14 C 1.0634(4) 0.1689(2) -0.0264(3) 0.0159(8) Uani 1 1 d . . . . .
C15 C 1.1767(4) 0.2853(2) 0.1780(3) 0.0175(8) Uani 1 1 d . . . . .
C16 C 1.0821(5) 0.3169(2) 0.2473(4) 0.0267(10) Uani 1 1 d . . . . .
H16A H 1.007731 0.343522 0.214598 0.040 Uiso 1 1 calc R U . . .
H16B H 1.136107 0.348079 0.289196 0.040 Uiso 1 1 calc R U . . .
H16C H 1.042135 0.279218 0.282387 0.040 Uiso 1 1 calc R U . . .
C17 C 1.2285(5) 0.3459(2) 0.1204(3) 0.0257(10) Uani 1 1 d . . . . .
H17A H 1.297668 0.328378 0.080392 0.038 Uiso 1 1 calc R U . . .
H17B H 1.270224 0.382022 0.161045 0.038 Uiso 1 1 calc R U . . .
H17C H 1.150672 0.366045 0.082917 0.038 Uiso 1 1 calc R U . . .
C18 C 1.2993(5) 0.2497(3) 0.2315(3) 0.0277(10) Uani 1 1 d . . . . .
H18A H 1.267079 0.207290 0.261142 0.042 Uiso 1 1 calc R U . . .
H18B H 1.339511 0.281816 0.278204 0.042 Uiso 1 1 calc R U . . .
H18C H 1.369328 0.237098 0.189316 0.042 Uiso 1 1 calc R U . . .
C19 C 1.0817(4) 0.1516(2) -0.1224(3) 0.0168(8) Uani 1 1 d . . . . .
C20 C 1.1717(4) 0.1886(2) -0.1756(3) 0.0205(9) Uani 1 1 d . . . . .
H20 H 1.225166 0.226261 -0.149804 0.025 Uiso 1 1 calc R U . . .
C21 C 1.1819(5) 0.1696(3) -0.2669(3) 0.0250(10) Uani 1 1 d . . . . .
H21 H 1.241600 0.194551 -0.304006 0.030 Uiso 1 1 calc R U . . .
C22 C 1.1044(5) 0.1142(3) -0.3029(3) 0.0249(10) Uani 1 1 d . . . . .
H22 H 1.111019 0.101521 -0.365140 0.030 Uiso 1 1 calc R U . . .
C23 C 1.0167(5) 0.0764(3) -0.2496(3) 0.0223(9) Uani 1 1 d . . . . .
H23 H 0.966565 0.037722 -0.275688 0.027 Uiso 1 1 calc R U . . .
C24 C 1.0016(4) 0.0945(2) -0.1585(3) 0.0173(8) Uani 1 1 d . . . . .
C25 C 0.6352(4) -0.0607(2) 0.0166(3) 0.0172(8) Uani 1 1 d . . . . .
H25A H 0.715881 -0.086221 -0.004493 0.021 Uiso 1 1 calc R U . . .
H25B H 0.592636 -0.034648 -0.036572 0.021 Uiso 1 1 calc R U . . .
C26 C 0.5303(5) -0.1146(2) 0.0461(3) 0.0181(8) Uani 1 1 d . . . . .
H26A H 0.571479 -0.141698 0.098838 0.022 Uiso 1 1 calc R U . . .
H26B H 0.447638 -0.090138 0.065901 0.022 Uiso 1 1 calc R U . . .
C27 C 0.4877(5) -0.1643(2) -0.0317(3) 0.0220(9) Uani 1 1 d . . . . .
H27A H 0.570404 -0.190394 -0.048548 0.026 Uiso 1 1 calc R U . . .
H27B H 0.453916 -0.136409 -0.085659 0.026 Uiso 1 1 calc R U . . .
C28 C 0.3758(5) -0.2171(2) -0.0104(3) 0.0245(10) Uani 1 1 d . . . . .
H28A H 0.308342 -0.193406 0.026844 0.029 Uiso 1 1 calc R U . . .
H28B H 0.326064 -0.231508 -0.068675 0.029 Uiso 1 1 calc R U . . .
C29 C 0.4272(5) -0.2815(2) 0.0396(3) 0.0228(9) Uani 1 1 d . . . . .
C30 C 0.3595(6) -0.3937(3) 0.0923(5) 0.0416(14) Uani 1 1 d . . . . .
H30A H 0.445148 -0.412410 0.070230 0.062 Uiso 1 1 calc R U . . .
H30B H 0.284567 -0.427536 0.079804 0.062 Uiso 1 1 calc R U . . .
H30C H 0.372274 -0.385312 0.158355 0.062 Uiso 1 1 calc R U . . .
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
N2 Pt1 C24 82.16(16) . . ?
N2 Pt1 N1 78.25(13) . . ?
C24 Pt1 N1 160.41(16) . . ?
N2 Pt1 Cl1 174.52(10) . . ?
C24 Pt1 Cl1 92.97(13) . . ?
N1 Pt1 Cl1 106.59(9) . . ?
C29 O1 C30 116.9(4) . . ?
C1 N1 C5 117.5(4) . . ?
C1 N1 Pt1 131.9(3) . . ?
C5 N1 Pt1 110.5(3) . . ?
C10 N2 C14 121.6(4) . . ?
C10 N2 Pt1 120.8(3) . . ?
C14 N2 Pt1 117.6(3) . . ?
N1 C1 C2 121.1(4) . . ?
N1 C1 C25 117.0(4) . . ?
C2 C1 C25 121.9(4) . . ?
C3 C2 C1 121.9(4) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 116.3(4) . . ?
C2 C3 C6 123.6(4) . . ?
C4 C3 C6 120.0(4) . . ?
C5 C4 C3 120.4(4) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C4 122.8(4) . . ?
N1 C5 C10 115.9(4) . . ?
C4 C5 C10 121.2(4) . . ?
C3 C6 C9 110.2(4) . . ?
C3 C6 C7 111.6(4) . . ?
C9 C6 C7 108.2(4) . . ?
C3 C6 C8 108.0(4) . . ?
C9 C6 C8 109.9(4) . . ?
C7 C6 C8 108.9(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 120.3(4) . . ?
N2 C10 C5 114.5(4) . . ?
C11 C10 C5 125.2(4) . . ?
C10 C11 C12 120.1(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 117.5(4) . . ?
C13 C12 C15 121.7(4) . . ?
C11 C12 C15 120.7(4) . . ?
C14 C13 C12 120.7(4) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
N2 C14 C13 119.7(4) . . ?
N2 C14 C19 112.6(4) . . ?
C13 C14 C19 127.7(4) . . ?
C12 C15 C18 108.9(3) . . ?
C12 C15 C17 110.9(4) . . ?
C18 C15 C17 110.1(4) . . ?
C12 C15 C16 111.3(4) . . ?
C18 C15 C16 108.3(4) . . ?
C17 C15 C16 107.4(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 121.8(4) . . ?
C20 C19 C14 122.8(4) . . ?
C24 C19 C14 115.4(4) . . ?
C21 C20 C19 119.3(4) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 119.4(4) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 121.4(4) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C24 C23 C22 120.9(4) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C19 117.1(4) . . ?
C23 C24 Pt1 130.7(4) . . ?
C19 C24 Pt1 112.2(3) . . ?
C1 C25 C26 116.7(4) . . ?
C1 C25 H25A 108.1 . . ?
C26 C25 H25A 108.1 . . ?
C1 C25 H25B 108.1 . . ?
C26 C25 H25B 108.1 . . ?
H25A C25 H25B 107.3 . . ?
C27 C26 C25 111.2(4) . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C26 C27 C28 114.8(4) . . ?
C26 C27 H27A 108.6 . . ?
C28 C27 H27A 108.6 . . ?
C26 C27 H27B 108.6 . . ?
C28 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 C27 115.1(4) . . ?
C29 C28 H28A 108.5 . . ?
C27 C28 H28A 108.5 . . ?
C29 C28 H28B 108.5 . . ?
C27 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
O2 C29 O1 122.6(5) . . ?
O2 C29 C28 126.6(4) . . ?
O1 C29 C28 110.8(4) . . ?
O1 C30 H30A 109.5 . . ?
O1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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 N2 1.961(3) . ?
Pt1 C24 1.993(4) . ?
Pt1 N1 2.204(4) . ?
Pt1 Cl1 2.3188(11) . ?
O1 C29 1.347(6) . ?
O1 C30 1.455(7) . ?
O2 C29 1.206(6) . ?
N1 C1 1.359(5) . ?
N1 C5 1.368(5) . ?
N2 C10 1.336(5) . ?
N2 C14 1.354(5) . ?
C1 C2 1.393(6) . ?
C1 C25 1.496(6) . ?
C2 C3 1.389(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(6) . ?
C3 C6 1.529(6) . ?
C4 C5 1.379(6) . ?
C4 H4 0.9500 . ?
C5 C10 1.483(5) . ?
C6 C9 1.530(7) . ?
C6 C7 1.533(6) . ?
C6 C8 1.537(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.394(6) . ?
C11 C12 1.402(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.394(6) . ?
C12 C15 1.526(6) . ?
C13 C14 1.390(6) . ?
C13 H13 0.9500 . ?
C14 C19 1.467(6) . ?
C15 C18 1.537(6) . ?
C15 C17 1.538(6) . ?
C15 C16 1.539(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.401(6) . ?
C19 C24 1.421(6) . ?
C20 C21 1.395(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.396(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(6) . ?
C23 H23 0.9500 . ?
C25 C26 1.532(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.518(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.530(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.499(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 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
C5 N1 C1 C2 1.7(6) . . . . ?
Pt1 N1 C1 C2 -176.8(3) . . . . ?
C5 N1 C1 C25 -179.3(4) . . . . ?
Pt1 N1 C1 C25 2.2(6) . . . . ?
N1 C1 C2 C3 -0.4(6) . . . . ?
C25 C1 C2 C3 -179.3(4) . . . . ?
C1 C2 C3 C4 -1.0(6) . . . . ?
C1 C2 C3 C6 177.4(4) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C6 C3 C4 C5 -177.5(4) . . . . ?
C1 N1 C5 C4 -1.6(6) . . . . ?
Pt1 N1 C5 C4 177.1(3) . . . . ?
C1 N1 C5 C10 -179.8(3) . . . . ?
Pt1 N1 C5 C10 -1.0(4) . . . . ?
C3 C4 C5 N1 0.3(7) . . . . ?
C3 C4 C5 C10 178.3(4) . . . . ?
C2 C3 C6 C9 133.1(4) . . . . ?
C4 C3 C6 C9 -48.5(6) . . . . ?
C2 C3 C6 C7 12.9(6) . . . . ?
C4 C3 C6 C7 -168.7(4) . . . . ?
C2 C3 C6 C8 -106.9(5) . . . . ?
C4 C3 C6 C8 71.5(5) . . . . ?
C14 N2 C10 C11 -0.7(6) . . . . ?
Pt1 N2 C10 C11 179.9(3) . . . . ?
C14 N2 C10 C5 178.6(4) . . . . ?
Pt1 N2 C10 C5 -0.8(5) . . . . ?
N1 C5 C10 N2 1.2(5) . . . . ?
C4 C5 C10 N2 -177.0(4) . . . . ?
N1 C5 C10 C11 -179.5(4) . . . . ?
C4 C5 C10 C11 2.3(6) . . . . ?
N2 C10 C11 C12 0.6(6) . . . . ?
C5 C10 C11 C12 -178.7(4) . . . . ?
C10 C11 C12 C13 -0.3(6) . . . . ?
C10 C11 C12 C15 -176.5(4) . . . . ?
C11 C12 C13 C14 0.2(6) . . . . ?
C15 C12 C13 C14 176.4(4) . . . . ?
C10 N2 C14 C13 0.6(6) . . . . ?
Pt1 N2 C14 C13 -180.0(3) . . . . ?
C10 N2 C14 C19 -179.6(3) . . . . ?
Pt1 N2 C14 C19 -0.2(4) . . . . ?
C12 C13 C14 N2 -0.3(6) . . . . ?
C12 C13 C14 C19 179.9(4) . . . . ?
C13 C12 C15 C18 -94.0(5) . . . . ?
C11 C12 C15 C18 82.1(5) . . . . ?
C13 C12 C15 C17 27.2(5) . . . . ?
C11 C12 C15 C17 -156.7(4) . . . . ?
C13 C12 C15 C16 146.7(4) . . . . ?
C11 C12 C15 C16 -37.2(5) . . . . ?
N2 C14 C19 C20 179.5(4) . . . . ?
C13 C14 C19 C20 -0.8(7) . . . . ?
N2 C14 C19 C24 -0.4(5) . . . . ?
C13 C14 C19 C24 179.3(4) . . . . ?
C24 C19 C20 C21 0.8(6) . . . . ?
C14 C19 C20 C21 -179.1(4) . . . . ?
C19 C20 C21 C22 -0.8(7) . . . . ?
C20 C21 C22 C23 -0.5(7) . . . . ?
C21 C22 C23 C24 1.7(7) . . . . ?
C22 C23 C24 C19 -1.6(6) . . . . ?
C22 C23 C24 Pt1 177.8(3) . . . . ?
C20 C19 C24 C23 0.4(6) . . . . ?
C14 C19 C24 C23 -179.7(4) . . . . ?
C20 C19 C24 Pt1 -179.1(3) . . . . ?
C14 C19 C24 Pt1 0.8(4) . . . . ?
N1 C1 C25 C26 177.2(4) . . . . ?
C2 C1 C25 C26 -3.8(6) . . . . ?
C1 C25 C26 C27 -179.6(4) . . . . ?
C25 C26 C27 C28 -176.1(4) . . . . ?
C26 C27 C28 C29 -83.5(5) . . . . ?
C30 O1 C29 O2 -0.6(7) . . . . ?
C30 O1 C29 C28 179.9(4) . . . . ?
C27 C28 C29 O2 8.0(7) . . . . ?
C27 C28 C29 O1 -172.5(4) . . . . ?
