#------------------------------------------------------------------------------
#$Date: 2024-08-05 21:02:59 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293757 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571783.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_1571783
loop_
_publ_author_name
'Qu, Chulin'
'Gong, Xinxin'
'Sun, Yufen'
'Gao, Hu'
'Cai, Fangjian'
'Zhao, Yue'
'Wu, Fan'
'Shen, Zhen'
_publ_section_title
;
 Synergistic meso-β regulation of porphyrins: squeezing the
 band gap into the near-infrared I/II region.
;
_journal_issue                   27
_journal_name_full               'Chemical science'
_journal_page_first              10491
_journal_page_last               10498
_journal_paper_doi               10.1039/d4sc01806k
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C96 H108 N4 Pt Si4'
_chemical_formula_sum            'C96 H108 N4 Pt Si4'
_chemical_formula_weight         1625.31
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc2g1btp
_audit_creation_date             2022-09-17
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-05-25 deposited with the CCDC.	2024-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.3505(3)
_cell_length_b                   19.3505(3)
_cell_length_c                   21.7466(5)
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      59.56
_cell_measurement_theta_min      3.97
_cell_volume                     8142.8(3)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX4 V2022.1-1 (Bruker, 2022)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            51232
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         59.870
_diffrn_reflns_theta_min         2.659
_diffrn_source                   MetalJet
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_type              'Liquid Metal source'
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.824
_exptl_absorpt_correction_T_max  0.3096
_exptl_absorpt_correction_T_min  0.2148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0785 before and 0.0500 after correction.
The Ratio of minimum to maximum transmission is 0.6938.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_description       block
_exptl_crystal_F_000             3384
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         4536
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0207
_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)+(0.0275P)²+9.1472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0546
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4195
_reflns_number_total             4536
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc01806k2.cif
_cod_data_source_block           20220916syf_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

 Adding full bibliography for 1571783--1571784.cif.
;
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               1571783
_shelx_shelxl_version_number     2019/2
_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   0.765
_shelx_estimated_absorpt_t_min   0.710
_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 Ternary CH refined with riding coordinates:
 C22(H22), C19(H19), C16(H16)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C10(H10), C8(H8), C5(H5), C6(H6), C7(H7)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C21(H21A,H21B,
 H21C), C18(H18A,H18B,H18C), C17(H17A,H17B,H17C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
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 0.500000 0.750000 0.625000 0.01962(5) Uani 1 4 d S T P . .
Si1 Si 0.13632(2) 0.60536(3) 0.54018(2) 0.02854(11) Uani 1 1 d . . . . .
N1 N 0.46939(7) 0.65130(7) 0.61694(6) 0.0212(3) Uani 1 1 d . . . . .
C1 C 0.51215(9) 0.59482(8) 0.61878(8) 0.0215(3) Uani 1 1 d . . . . .
C11 C 0.40761(9) 0.55880(8) 0.57948(8) 0.0232(3) Uani 1 1 d . . . . .
C4 C 0.44768(9) 0.42320(9) 0.55359(8) 0.0252(3) Uani 1 1 d . . . . .
C13 C 0.34527(8) 0.67123(8) 0.60561(8) 0.0221(3) Uani 1 1 d . . . . .
C2 C 0.47533(8) 0.53551(8) 0.59414(8) 0.0229(3) Uani 1 1 d . . . . .
C3 C 0.49545(9) 0.46903(9) 0.58063(9) 0.0263(4) Uani 1 1 d . . . . .
H3 H 0.541165 0.454138 0.589457 0.032 Uiso 1 1 calc R U . . .
C9 C 0.37966(9) 0.44625(9) 0.53964(9) 0.0265(4) Uani 1 1 d . . . . .
C14 C 0.27961(9) 0.64306(8) 0.58743(8) 0.0240(3) Uani 1 1 d . . . . .
C10 C 0.36043(9) 0.51505(9) 0.55281(9) 0.0276(4) Uani 1 1 d . . . . .
H10 H 0.315229 0.530953 0.543307 0.033 Uiso 1 1 calc R U . . .
C12 C 0.40467(8) 0.63109(8) 0.59773(8) 0.0216(3) Uani 1 1 d . . . . .
C8 C 0.33258(10) 0.39883(10) 0.51269(9) 0.0326(4) Uani 1 1 d . . . . .
H8 H 0.287081 0.413641 0.502927 0.039 Uiso 1 1 calc R U . . .
C15 C 0.22431(9) 0.62270(9) 0.56946(9) 0.0287(4) Uani 1 1 d . . . . .
C5 C 0.46601(10) 0.35386(9) 0.53914(9) 0.0297(4) Uani 1 1 d . . . . .
H5 H 0.511562 0.338038 0.547320 0.036 Uiso 1 1 calc R U . . .
C6 C 0.41908(10) 0.30992(9) 0.51374(9) 0.0311(4) Uani 1 1 d . . . . .
H6 H 0.432002 0.263630 0.504805 0.037 Uiso 1 1 calc R U . . .
C7 C 0.35158(10) 0.33256(10) 0.50062(9) 0.0324(4) Uani 1 1 d . . . . .
H7 H 0.319089 0.301373 0.483228 0.039 Uiso 1 1 calc R U . . .
C22 C 0.13084(11) 0.51687(11) 0.50393(10) 0.0368(4) Uani 1 1 d . . . . .
H22 H 0.081926 0.510955 0.490043 0.044 Uiso 1 1 calc R U . . .
C19 C 0.07407(10) 0.61420(11) 0.60645(10) 0.0358(4) Uani 1 1 d . . . . .
H19 H 0.067737 0.664812 0.613825 0.043 Uiso 1 1 calc R U . . .
C20 C 0.10022(12) 0.58288(12) 0.66695(10) 0.0423(5) Uani 1 1 d . . . . .
H20A H 0.103698 0.532589 0.662668 0.063 Uiso 1 1 calc R U . . .
H20B H 0.067841 0.594077 0.700137 0.063 Uiso 1 1 calc R U . . .
H20C H 0.145832 0.601989 0.676687 0.063 Uiso 1 1 calc R U . . .
C16 C 0.12230(12) 0.67313(12) 0.47945(11) 0.0435(5) Uani 1 1 d . . . . .
H16 H 0.162114 0.669045 0.450353 0.052 Uiso 1 1 calc R U . . .
C23 C 0.17569(14) 0.51041(13) 0.44665(11) 0.0504(6) Uani 1 1 d . . . . .
H23A H 0.160899 0.544519 0.416058 0.076 Uiso 1 1 calc R U . . .
H23B H 0.170923 0.463825 0.429486 0.076 Uiso 1 1 calc R U . . .
H23C H 0.224123 0.518717 0.457573 0.076 Uiso 1 1 calc R U . . .
C24 C 0.14555(15) 0.45791(12) 0.54847(12) 0.0521(6) Uani 1 1 d . . . . .
H24A H 0.191200 0.464514 0.567078 0.078 Uiso 1 1 calc R U . . .
H24B H 0.144649 0.413892 0.526203 0.078 Uiso 1 1 calc R U . . .
H24C H 0.110258 0.457404 0.580792 0.078 Uiso 1 1 calc R U . . .
C21 C 0.00236(12) 0.58460(17) 0.59060(13) 0.0616(8) Uani 1 1 d . . . . .
H21A H -0.014550 0.605876 0.552570 0.092 Uiso 1 1 calc R U . . .
H21B H -0.029892 0.594606 0.624184 0.092 Uiso 1 1 calc R U . . .
H21C H 0.005881 0.534475 0.584949 0.092 Uiso 1 1 calc R U . . .
C18 C 0.05702(15) 0.66259(15) 0.44081(14) 0.0631(7) Uani 1 1 d . . . . .
H18A H 0.057121 0.615882 0.423402 0.095 Uiso 1 1 calc R U . . .
H18B H 0.056022 0.696607 0.407439 0.095 Uiso 1 1 calc R U . . .
H18C H 0.016133 0.668543 0.466870 0.095 Uiso 1 1 calc R U . . .
C17 C 0.12517(18) 0.74631(14) 0.50521(16) 0.0732(9) Uani 1 1 d . . . . .
H17A H 0.085825 0.753742 0.532806 0.110 Uiso 1 1 calc R U . . .
H17B H 0.123165 0.779623 0.471315 0.110 Uiso 1 1 calc R U . . .
H17C H 0.168348 0.752617 0.528074 0.110 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 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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 Pt1 N1 169.99(8) . 6_564 ?
N1 Pt1 N1 90.437(7) . 15_566 ?
N1 Pt1 N1 169.99(8) 12_767 15_566 ?
N1 Pt1 N1 90.436(7) 6_564 12_767 ?
N1 Pt1 N1 90.436(7) . 12_767 ?
N1 Pt1 N1 90.436(7) 6_564 15_566 ?
C15 Si1 C22 111.12(9) . . ?
C15 Si1 C19 107.98(9) . . ?
C15 Si1 C16 104.37(9) . . ?
C19 Si1 C22 111.43(10) . . ?
C16 Si1 C22 109.33(10) . . ?
C16 Si1 C19 112.41(10) . . ?
C1 N1 Pt1 125.30(11) . . ?
C1 N1 C12 109.34(13) . . ?
C12 N1 Pt1 124.40(11) . . ?
N1 C1 C13 124.08(15) . 12_767 ?
N1 C1 C2 108.84(14) . . ?
C13 C1 C2 126.96(15) 12_767 . ?
C2 C11 C12 106.24(14) . . ?
C10 C11 C2 120.78(15) . . ?
C10 C11 C12 132.98(16) . . ?
C3 C4 C9 119.90(15) . . ?
C3 C4 C5 121.47(16) . . ?
C9 C4 C5 118.63(16) . . ?
C1 C13 C14 116.83(15) 15_566 . ?
C12 C13 C1 124.32(15) . 15_566 ?
C12 C13 C14 118.84(15) . . ?
C11 C2 C1 106.50(14) . . ?
C3 C2 C1 132.72(16) . . ?
C3 C2 C11 120.63(16) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 C4 119.46(16) . . ?
C2 C3 H3 120.3 . . ?
C10 C9 C4 119.76(16) . . ?
C10 C9 C8 121.61(17) . . ?
C8 C9 C4 118.63(16) . . ?
C15 C14 C13 175.9(2) . . ?
C11 C10 C9 119.46(16) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
N1 C12 C11 108.67(14) . . ?
N1 C12 C13 123.57(15) . . ?
C13 C12 C11 126.85(15) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 C9 121.06(18) . . ?
C7 C8 H8 119.5 . . ?
C14 C15 Si1 171.37(16) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.83(17) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.47(17) . . ?
C7 C6 H6 119.8 . . ?
C8 C7 C6 120.37(17) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
Si1 C22 H22 106.4 . . ?
C23 C22 Si1 112.57(15) . . ?
C23 C22 H22 106.4 . . ?
C23 C22 C24 110.61(19) . . ?
C24 C22 Si1 113.77(15) . . ?
C24 C22 H22 106.4 . . ?
Si1 C19 H19 106.8 . . ?
C20 C19 Si1 114.13(14) . . ?
C20 C19 H19 106.8 . . ?
C20 C19 C21 110.0(2) . . ?
C21 C19 Si1 111.76(15) . . ?
C21 C19 H19 106.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C16 H16 106.1 . . ?
C18 C16 Si1 114.30(17) . . ?
C18 C16 H16 106.1 . . ?
C17 C16 Si1 112.61(18) . . ?
C17 C16 H16 106.1 . . ?
C17 C16 C18 110.8(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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 N1 2.0073(14) . ?
Pt1 N1 2.0073(14) 6_564 ?
Pt1 N1 2.0073(14) 15_566 ?
Pt1 N1 2.0073(14) 12_767 ?
Si1 C15 1.8484(19) . ?
Si1 C22 1.888(2) . ?
Si1 C19 1.886(2) . ?
Si1 C16 1.881(2) . ?
N1 C1 1.371(2) . ?
N1 C12 1.377(2) . ?
C1 C13 1.405(2) 12_767 ?
C1 C2 1.453(2) . ?
C11 C2 1.422(2) . ?
C11 C10 1.374(2) . ?
C11 C12 1.455(2) . ?
C4 C3 1.410(2) . ?
C4 C9 1.422(2) . ?
C4 C5 1.423(2) . ?
C13 C14 1.438(2) . ?
C13 C12 1.398(2) . ?
C2 C3 1.376(2) . ?
C3 H3 0.9500 . ?
C9 C10 1.412(2) . ?
C9 C8 1.420(2) . ?
C14 C15 1.205(2) . ?
C10 H10 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.359(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.361(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.407(3) . ?
C7 H7 0.9500 . ?
C22 H22 1.0000 . ?
C22 C23 1.523(3) . ?
C22 C24 1.524(3) . ?
C19 H19 1.0000 . ?
C19 C20 1.534(3) . ?
C19 C21 1.540(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C18 1.531(3) . ?
C16 C17 1.524(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 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 N1 C1 C13 20.0(2) . . . 12_767 ?
Pt1 N1 C1 C2 -163.77(11) . . . . ?
Pt1 N1 C12 C11 162.64(11) . . . . ?
Pt1 N1 C12 C13 -27.6(2) . . . . ?
N1 C1 C2 C11 -2.00(19) . . . . ?
N1 C1 C2 C3 173.38(19) . . . . ?
C1 N1 C12 C11 -6.66(19) . . . . ?
C1 N1 C12 C13 163.10(16) . . . . ?
C1 C13 C12 N1 3.1(3) 15_566 . . . ?
C1 C13 C12 C11 170.98(17) 15_566 . . . ?
C1 C2 C3 C4 -176.65(18) . . . . ?
C11 C2 C3 C4 -1.8(3) . . . . ?
C4 C9 C10 C11 -0.6(3) . . . . ?
C4 C9 C8 C7 0.4(3) . . . . ?
C4 C5 C6 C7 0.7(3) . . . . ?
C13 C1 C2 C11 174.08(17) 12_767 . . . ?
C13 C1 C2 C3 -10.5(3) 12_767 . . . ?
C2 C11 C10 C9 -0.2(3) . . . . ?
C2 C11 C12 N1 5.26(19) . . . . ?
C2 C11 C12 C13 -164.07(17) . . . . ?
C3 C4 C9 C10 0.2(3) . . . . ?
C3 C4 C9 C8 -179.71(18) . . . . ?
C3 C4 C5 C6 179.17(18) . . . . ?
C9 C4 C3 C2 1.0(3) . . . . ?
C9 C4 C5 C6 -1.4(3) . . . . ?
C9 C8 C7 C6 -1.1(3) . . . . ?
C14 C13 C12 N1 -175.92(16) . . . . ?
C14 C13 C12 C11 -8.1(3) . . . . ?
C10 C11 C2 C1 177.51(16) . . . . ?
C10 C11 C2 C3 1.4(3) . . . . ?
C10 C11 C12 N1 -174.10(19) . . . . ?
C10 C11 C12 C13 16.6(3) . . . . ?
C10 C9 C8 C7 -179.54(19) . . . . ?
C12 N1 C1 C13 -170.80(16) . . . 12_767 ?
C12 N1 C1 C2 5.41(19) . . . . ?
C12 C11 C2 C1 -1.95(19) . . . . ?
C12 C11 C2 C3 -178.01(16) . . . . ?
C12 C11 C10 C9 179.04(19) . . . . ?
C8 C9 C10 C11 179.35(18) . . . . ?
C15 Si1 C22 C23 -64.81(18) . . . . ?
C15 Si1 C22 C24 62.03(19) . . . . ?
C15 Si1 C19 C20 -41.15(17) . . . . ?
C15 Si1 C19 C21 -166.78(18) . . . . ?
C15 Si1 C16 C18 170.68(19) . . . . ?
C15 Si1 C16 C17 -61.7(2) . . . . ?
C5 C4 C3 C2 -179.63(18) . . . . ?
C5 C4 C9 C10 -179.21(18) . . . . ?
C5 C4 C9 C8 0.9(3) . . . . ?
C5 C6 C7 C8 0.6(3) . . . . ?
C22 Si1 C19 C20 81.14(17) . . . . ?
C22 Si1 C19 C21 -44.5(2) . . . . ?
C22 Si1 C16 C18 51.7(2) . . . . ?
C22 Si1 C16 C17 179.38(19) . . . . ?
C19 Si1 C22 C23 174.72(15) . . . . ?
C19 Si1 C22 C24 -58.44(19) . . . . ?
C19 Si1 C16 C18 -72.6(2) . . . . ?
C19 Si1 C16 C17 55.1(2) . . . . ?
C16 Si1 C22 C23 49.86(19) . . . . ?
C16 Si1 C22 C24 176.70(16) . . . . ?
C16 Si1 C19 C20 -155.74(15) . . . . ?
C16 Si1 C19 C21 78.6(2) . . . . ?
