#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:50:24 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289485 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/48/7714813.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_7714813
loop_
_publ_author_name
'Liang, Chun-Jie'
'Wu, Run-Chun'
'Huang, Xiao-Qiong'
'Qin, Qi-Pin'
'Liang, Hong'
'Tan, Ming-Xiong'
_publ_section_title
;
 Synthesis and anticancer mechanisms of four novel platinum(II)
 4'-substituted-2,2':6',2''-terpyridine complexes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2143
_journal_page_last               2152
_journal_paper_doi               10.1039/d3dt03197g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C19 H13 Cl N5 Pt, C2 H6 Cl3 O Pt S, C3 H6 O'
_chemical_formula_sum            'C24 H25 Cl4 N5 O2 Pt2 S'
_chemical_formula_weight         979.53
_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
_atom_sites_solution_primary     iterative
_audit_creation_date             2023-11-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-11-28 deposited with the CCDC.	2023-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                105.599(2)
_cell_angle_beta                 108.6990(10)
_cell_angle_gamma                108.5620(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4487(5)
_cell_length_b                   11.5208(6)
_cell_length_c                   12.9041(7)
_cell_measurement_reflns_used    9888
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.373
_cell_measurement_theta_min      2.795
_cell_volume                     1391.81(13)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            37606
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         2.048
_exptl_absorpt_coefficient_mu    10.533
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0094
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0939 before and 0.0600 after correction.
The Ratio of minimum to maximum transmission is 0.3406.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.337
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.232
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         4968
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0269
_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)+(0.0370P)²+1.6059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0676
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4054
_reflns_number_total             4968
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03197g2.cif
_cod_data_source_block           k371
_cod_depositor_comments
'Adding full bibliography for 7714811--7714815.cif.'
_cod_original_cell_volume        1391.80(12)
_cod_database_code               7714813
_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_max   0.187
_shelx_estimated_absorpt_t_min   0.108
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C8(H8), C2(H2), C17(H17), C5(H5), C3(H3), C14(H14), C1(H1),
 C18(H18), C11(H11), C13(H13), C15(H15), C4(H4)
2.b Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C22(H22A,H22B,H22C), C21(H21A,H21B,H21C), C20(H20A,H20B,
 H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.01493(2) -0.03567(2) 0.37090(2) 0.03139(8) Uani 1 1 d . . . . .
Pt3 Pt 0.40710(2) 0.67860(2) 0.78517(2) 0.03490(8) Uani 1 1 d . . . . .
S1 S 0.32166(17) 0.65457(18) 0.91303(15) 0.0394(4) Uani 1 1 d . . . . .
Cl4 Cl 0.36226(17) 0.86216(17) 0.79805(16) 0.0440(4) Uani 1 1 d . . . . .
Cl3 Cl 0.49626(17) 0.71556(19) 0.65263(16) 0.0463(4) Uani 1 1 d . . . . .
Cl2 Cl 0.44983(17) 0.49364(17) 0.76522(16) 0.0451(4) Uani 1 1 d . . . . .
Cl1 Cl -0.21772(15) -0.13094(17) 0.24912(15) 0.0417(4) Uani 1 1 d . . . . .
N2 N 0.2120(5) 0.0405(5) 0.4693(4) 0.0298(11) Uani 1 1 d . . . . .
N1 N 0.0226(5) -0.1933(5) 0.4060(5) 0.0337(12) Uani 1 1 d . . . . .
O2 O 0.1158(5) 0.0788(5) 0.1462(5) 0.0566(14) Uani 1 1 d . . . . .
N3 N 0.0727(5) 0.1465(5) 0.3659(4) 0.0318(11) Uani 1 1 d . . . . .
C12 C 0.1540(6) -0.1717(6) 0.4738(5) 0.0307(13) Uani 1 1 d . . . . .
C9 C 0.2619(6) -0.0358(6) 0.5128(5) 0.0325(14) Uani 1 1 d . . . . .
C10 C 0.2921(6) 0.1678(6) 0.4901(5) 0.0318(14) Uani 1 1 d . . . . .
N4 N 0.0741(5) -0.3907(5) 0.4676(5) 0.0378(13) Uani 1 1 d . . . . .
C19 C -0.0076(7) 0.1945(7) 0.3077(6) 0.0382(15) Uani 1 1 d . . . . .
H19 H -0.1045 0.1416 0.2645 0.046 Uiso 1 1 calc R . . . .
C16 C 0.2109(6) 0.2269(6) 0.4294(5) 0.0324(14) Uani 1 1 d . . . . .
C8 C 0.4004(6) 0.0170(6) 0.5866(5) 0.0337(14) Uani 1 1 d . . . . .
H8 H 0.4362 -0.0357 0.6195 0.040 Uiso 1 1 calc R . . . .
C6 C 0.6381(6) 0.2096(6) 0.6920(5) 0.0329(14) Uani 1 1 d . . . . .
C2 C 0.8394(7) 0.1880(7) 0.8027(6) 0.0416(16) Uani 1 1 d . . . . .
H2 H 0.8800 0.1332 0.8258 0.050 Uiso 1 1 calc R . . . .
C23 C 0.1683(7) 0.1111(7) 0.0849(6) 0.0455(17) Uani 1 1 d . . . . .
C17 C 0.2644(7) 0.3537(7) 0.4305(6) 0.0390(15) Uani 1 1 d . . . . .
H17 H 0.3607 0.4090 0.4754 0.047 Uiso 1 1 calc R . . . .
C5 C 0.7222(7) 0.3476(7) 0.7356(6) 0.0432(17) Uani 1 1 d . . . . .
H5 H 0.6834 0.4038 0.7131 0.052 Uiso 1 1 calc R . . . .
C3 C 0.9200(6) 0.3251(7) 0.8443(6) 0.0441(17) Uani 1 1 d . . . . .
H3 H 1.0158 0.3646 0.8956 0.053 Uiso 1 1 calc R . . . .
C14 C -0.0519(7) -0.4084(7) 0.4067(6) 0.0413(16) Uani 1 1 d . . . . .
H14 H -0.1266 -0.4906 0.3859 0.050 Uiso 1 1 calc R . . . .
C1 C 0.7013(6) 0.1318(6) 0.7281(6) 0.0364(15) Uani 1 1 d . . . . .
H1 H 0.6473 0.0380 0.7003 0.044 Uiso 1 1 calc R . . . .
C18 C 0.0516(7) 0.3205(7) 0.3113(6) 0.0450(17) Uani 1 1 d . . . . .
H18 H -0.0063 0.3521 0.2688 0.054 Uiso 1 1 calc R . . . .
N5 N 0.1870(6) 0.4009(6) 0.3718(5) 0.0439(14) Uani 1 1 d . . . . .
C11 C 0.4307(6) 0.2216(6) 0.5607(5) 0.0317(14) Uani 1 1 d . . . . .
H11 H 0.4886 0.3098 0.5744 0.038 Uiso 1 1 calc R . . . .
C7 C 0.4890(6) 0.1494(6) 0.6130(5) 0.0306(14) Uani 1 1 d . . . . .
C13 C 0.1758(7) -0.2732(6) 0.4998(6) 0.0363(15) Uani 1 1 d . . . . .
H13 H 0.2677 -0.2584 0.5426 0.044 Uiso 1 1 calc R . . . .
C15 C -0.0808(6) -0.3144(6) 0.3717(6) 0.0372(15) Uani 1 1 d . . . . .
H15 H -0.1730 -0.3343 0.3236 0.045 Uiso 1 1 calc R . . . .
C4 C 0.8596(7) 0.4020(7) 0.8104(7) 0.0485(18) Uani 1 1 d . . . . .
H4 H 0.9143 0.4959 0.8394 0.058 Uiso 1 1 calc R . . . .
C24 C 0.1764(8) 0.2345(8) 0.0645(8) 0.061(2) Uani 1 1 d . . . . .
H24A H 0.1236 0.2710 0.0981 0.091 Uiso 1 1 calc GR . . . .
H24B H 0.1381 0.2116 -0.0220 0.091 Uiso 1 1 calc GR . . . .
H24C H 0.2727 0.3019 0.1039 0.091 Uiso 1 1 calc GR . . . .
C22 C 0.2268(7) 0.0312(8) 0.0271(7) 0.054(2) Uani 1 1 d . . . . .
H22A H 0.3227 0.0613 0.0828 0.081 Uiso 1 1 calc GR . . . .
H22B H 0.2228 0.0435 -0.0460 0.081 Uiso 1 1 calc GR . . . .
H22C H 0.1735 -0.0642 0.0063 0.081 Uiso 1 1 calc GR . . . .
O1 O 0.1752(4) 0.6175(5) 0.8703(4) 0.0519(13) Uani 1 1 d . . . . .
C21 C 0.4155(8) 0.8062(8) 1.0447(6) 0.055(2) Uani 1 1 d . . . . .
H21A H 0.5130 0.8262 1.0789 0.083 Uiso 1 1 calc GR . . . .
H21B H 0.3803 0.7968 1.1034 0.083 Uiso 1 1 calc GR . . . .
H21C H 0.4051 0.8798 1.0247 0.083 Uiso 1 1 calc GR . . . .
C20 C 0.3541(8) 0.5430(9) 0.9747(7) 0.058(2) Uani 1 1 d . . . . .
H20A H 0.3143 0.4536 0.9100 0.087 Uiso 1 1 calc GR . . . .
H20B H 0.3124 0.5378 1.0299 0.087 Uiso 1 1 calc GR . . . .
H20C H 0.4536 0.5754 1.0186 0.087 Uiso 1 1 calc GR . . . .
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'
S S 0.1246 0.1234 '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 Cl1 177.96(15) . . ?
N2 Pt1 N1 81.0(2) . . ?
N2 Pt1 N3 80.7(2) . . ?
N1 Pt1 Cl1 98.27(15) . . ?
N1 Pt1 N3 161.6(2) . . ?
N3 Pt1 Cl1 100.03(15) . . ?
S1 Pt3 Cl4 87.72(6) . . ?
S1 Pt3 Cl3 176.71(6) . . ?
S1 Pt3 Cl2 93.92(7) . . ?
Cl4 Pt3 Cl3 89.02(6) . . ?
Cl2 Pt3 Cl4 177.97(6) . . ?
Cl2 Pt3 Cl3 89.35(6) . . ?
O1 S1 Pt3 116.4(2) . . ?
O1 S1 C21 109.2(3) . . ?
O1 S1 C20 107.1(4) . . ?
C21 S1 Pt3 108.3(3) . . ?
C20 S1 Pt3 114.7(3) . . ?
C20 S1 C21 99.7(4) . . ?
C9 N2 Pt1 118.2(4) . . ?
C9 N2 C10 123.4(5) . . ?
C10 N2 Pt1 118.4(4) . . ?
C12 N1 Pt1 113.3(4) . . ?
C15 N1 Pt1 129.4(4) . . ?
C15 N1 C12 117.2(5) . . ?
C19 N3 Pt1 128.0(4) . . ?
C19 N3 C16 118.5(5) . . ?
C16 N3 Pt1 113.6(4) . . ?
N1 C12 C9 114.7(5) . . ?
C13 C12 N1 119.8(6) . . ?
C13 C12 C9 125.4(6) . . ?
N2 C9 C12 112.6(5) . . ?
N2 C9 C8 119.6(6) . . ?
C8 C9 C12 127.8(6) . . ?
N2 C10 C16 111.9(5) . . ?
N2 C10 C11 118.2(6) . . ?
C11 C10 C16 129.9(6) . . ?
C14 N4 C13 117.0(6) . . ?
N3 C19 H19 120.2 . . ?
N3 C19 C18 119.5(6) . . ?
C18 C19 H19 120.2 . . ?
N3 C16 C10 115.5(5) . . ?
N3 C16 C17 119.3(6) . . ?
C17 C16 C10 125.2(6) . . ?
C9 C8 H8 120.1 . . ?
C9 C8 C7 119.8(6) . . ?
C7 C8 H8 120.1 . . ?
C5 C6 C1 117.1(6) . . ?
C5 C6 C7 121.4(6) . . ?
C1 C6 C7 121.5(6) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0(7) . . ?
O2 C23 C24 120.6(7) . . ?
O2 C23 C22 121.8(7) . . ?
C22 C23 C24 117.7(7) . . ?
C16 C17 H17 118.6 . . ?
N5 C17 C16 122.8(6) . . ?
N5 C17 H17 118.6 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.6(7) . . ?
C4 C5 H5 119.7 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.0(6) . . ?
C4 C3 H3 120.5 . . ?
N4 C14 H14 118.2 . . ?
N4 C14 C15 123.5(6) . . ?
C15 C14 H14 118.2 . . ?
C6 C1 H1 119.3 . . ?
C2 C1 C6 121.5(6) . . ?
C2 C1 H1 119.3 . . ?
C19 C18 H18 118.4 . . ?
N5 C18 C19 123.3(7) . . ?
N5 C18 H18 118.4 . . ?
C17 N5 C18 116.6(6) . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C7 121.4(6) . . ?
C7 C11 H11 119.3 . . ?
C8 C7 C6 121.4(6) . . ?
C11 C7 C8 117.5(6) . . ?
C11 C7 C6 121.1(6) . . ?
C12 C13 H13 118.7 . . ?
N4 C13 C12 122.5(6) . . ?
N4 C13 H13 118.7 . . ?
N1 C15 C14 119.7(6) . . ?
N1 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C5 C4 H4 119.1 . . ?
C3 C4 C5 121.8(7) . . ?
C3 C4 H4 119.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C23 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
S1 C21 H21A 109.5 . . ?
S1 C21 H21B 109.5 . . ?
S1 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
S1 C20 H20A 109.5 . . ?
S1 C20 H20B 109.5 . . ?
S1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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 Cl1 2.3014(15) . ?
Pt1 N2 1.944(5) . ?
Pt1 N1 2.007(5) . ?
Pt1 N3 2.015(5) . ?
Pt3 S1 2.2055(17) . ?
Pt3 Cl4 2.3065(17) . ?
Pt3 Cl3 2.3200(17) . ?
Pt3 Cl2 2.3013(17) . ?
S1 O1 1.457(5) . ?
S1 C21 1.770(7) . ?
S1 C20 1.757(8) . ?
N2 C9 1.339(8) . ?
N2 C10 1.355(8) . ?
N1 C12 1.375(8) . ?
N1 C15 1.350(8) . ?
O2 C23 1.202(8) . ?
N3 C19 1.350(8) . ?
N3 C16 1.364(8) . ?
C12 C9 1.475(8) . ?
C12 C13 1.373(9) . ?
C9 C8 1.378(8) . ?
C10 C16 1.471(8) . ?
C10 C11 1.370(8) . ?
N4 C14 1.319(8) . ?
N4 C13 1.321(8) . ?
C19 H19 0.9500 . ?
C19 C18 1.373(10) . ?
C16 C17 1.386(9) . ?
C8 H8 0.9500 . ?
C8 C7 1.409(9) . ?
C6 C5 1.403(9) . ?
C6 C1 1.403(9) . ?
C6 C7 1.478(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.391(10) . ?
C2 C1 1.372(9) . ?
C23 C24 1.494(10) . ?
C23 C22 1.482(10) . ?
C17 H17 0.9500 . ?
C17 N5 1.325(8) . ?
C5 H5 0.9500 . ?
C5 C4 1.368(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.364(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.371(9) . ?
C1 H1 0.9500 . ?
C18 H18 0.9500 . ?
C18 N5 1.338(9) . ?
C11 H11 0.9500 . ?
C11 C7 1.399(9) . ?
C13 H13 0.9500 . ?
C15 H15 0.9500 . ?
C4 H4 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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
Pt1 N2 C9 C12 1.7(7) . . . . ?
Pt1 N2 C9 C8 -177.6(4) . . . . ?
Pt1 N2 C10 C16 -1.0(6) . . . . ?
Pt1 N2 C10 C11 179.2(4) . . . . ?
Pt1 N1 C12 C9 3.2(6) . . . . ?
Pt1 N1 C12 C13 -176.7(5) . . . . ?
Pt1 N1 C15 C14 -179.8(5) . . . . ?
Pt1 N3 C19 C18 -177.6(5) . . . . ?
Pt1 N3 C16 C10 -0.4(6) . . . . ?
Pt1 N3 C16 C17 178.3(5) . . . . ?
N2 C9 C8 C7 -1.6(9) . . . . ?
N2 C10 C16 N3 0.9(7) . . . . ?
N2 C10 C16 C17 -177.7(6) . . . . ?
N2 C10 C11 C7 -1.6(9) . . . . ?
N1 C12 C9 N2 -3.2(8) . . . . ?
N1 C12 C9 C8 176.0(6) . . . . ?
N1 C12 C13 N4 -3.8(10) . . . . ?
N3 C19 C18 N5 -1.0(10) . . . . ?
N3 C16 C17 N5 -0.3(9) . . . . ?
C12 N1 C15 C14 1.1(9) . . . . ?
C12 C9 C8 C7 179.2(6) . . . . ?
C9 N2 C10 C16 178.8(5) . . . . ?
C9 N2 C10 C11 -0.9(9) . . . . ?
C9 C12 C13 N4 176.3(6) . . . . ?
C9 C8 C7 C6 179.8(6) . . . . ?
C9 C8 C7 C11 -0.8(9) . . . . ?
C10 N2 C9 C12 -178.1(5) . . . . ?
C10 N2 C9 C8 2.6(9) . . . . ?
C10 C16 C17 N5 178.2(6) . . . . ?
C10 C11 C7 C8 2.4(9) . . . . ?
C10 C11 C7 C6 -178.1(5) . . . . ?
N4 C14 C15 N1 -4.0(10) . . . . ?
C19 N3 C16 C10 -179.7(5) . . . . ?
C19 N3 C16 C17 -1.0(8) . . . . ?
C19 C18 N5 C17 -0.4(10) . . . . ?
C16 N3 C19 C18 1.6(9) . . . . ?
C16 C10 C11 C7 178.7(6) . . . . ?
C16 C17 N5 C18 1.0(10) . . . . ?
C6 C5 C4 C3 0.6(11) . . . . ?
C2 C3 C4 C5 -0.6(11) . . . . ?
C5 C6 C1 C2 -0.1(9) . . . . ?
C5 C6 C7 C8 -168.5(6) . . . . ?
C5 C6 C7 C11 12.1(9) . . . . ?
C3 C2 C1 C6 0.1(10) . . . . ?
C14 N4 C13 C12 1.0(9) . . . . ?
C1 C6 C5 C4 -0.2(10) . . . . ?
C1 C6 C7 C8 10.5(9) . . . . ?
C1 C6 C7 C11 -168.9(6) . . . . ?
C1 C2 C3 C4 0.3(10) . . . . ?
C11 C10 C16 N3 -179.4(6) . . . . ?
C11 C10 C16 C17 2.0(10) . . . . ?
C7 C6 C5 C4 178.8(6) . . . . ?
C7 C6 C1 C2 -179.2(6) . . . . ?
C13 C12 C9 N2 176.7(6) . . . . ?
C13 C12 C9 C8 -4.1(10) . . . . ?
C13 N4 C14 C15 2.9(10) . . . . ?
C15 N1 C12 C9 -177.6(5) . . . . ?
C15 N1 C12 C13 2.5(8) . . . . ?
