#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/09/4070972.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_4070972
loop_
_publ_author_name
'Sangtrirutnugul, Preeyanuch'
'Tilley, T. Don'
_publ_section_title
;
 Alkyl and Hydrido Complexes of Platinum(IV) Supported by the
 Bis(8-quinolyl)methylsilyl Ligand
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2223
_journal_paper_doi               10.1021/om701162h
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C21 H21 N2 Pt Si, C24 B F20'
_chemical_formula_sum            'C45 H21 B F20 N2 Pt Si'
_chemical_formula_weight         1203.63
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed May  9 16:00:25 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                108.625(1)
_cell_angle_beta                 103.534(1)
_cell_angle_gamma                104.601(1)
_cell_formula_units_Z            2
_cell_length_a                   12.5123(6)
_cell_length_b                   12.6603(6)
_cell_length_c                   15.4852(7)
_cell_measurement_reflns_used    7447
_cell_measurement_temperature    148.2
_cell_measurement_theta_max      24.7
_cell_measurement_theta_min      2.5
_cell_volume                     2113.01(17)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.631'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9843
_diffrn_measured_fraction_theta_max 0.9843
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11962
_diffrn_reflns_theta_full        24.74
_diffrn_reflns_theta_max         24.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.462
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1164.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.01
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.803
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     631
_refine_ls_number_reflns         6312
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.0022
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00022|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0394
_refine_ls_wR_factor_ref         0.0394
_reflns_number_gt                6312
_reflns_number_total             7092
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            om701162h-file002.cif
_cod_data_source_block           nuch37
_cod_original_cell_volume        2113.00(17)
_cod_original_sg_symbol_Hall     '-P 1       '
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C45 H21 B F20 N2 Pt Si '
_cod_database_code               4070972
loop_
_symmetry_equiv_pos_as_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_calc_flag
Pt Pt 0.91649(2) 0.20683(2) 1.79071(1) 0.03337(6) Uani 1.00 d
Si Si 0.77253(9) 0.08157(10) 1.81328(8) 0.0189(3) Uani 1.00 d
F(1) F 0.8553(2) 0.5545(2) 1.4409(2) 0.0249(6) Uani 1.00 d
F(2) F 1.0875(2) 0.6225(2) 1.5027(2) 0.0348(7) Uani 1.00 d
F(3) F 1.1991(2) 0.5426(2) 1.3776(2) 0.0430(8) Uani 1.00 d
F(4) F 1.0714(2) 0.4114(2) 1.1859(2) 0.0441(8) Uani 1.00 d
F(5) F 0.8407(2) 0.3522(2) 1.1206(2) 0.0380(7) Uani 1.00 d
F(6) F 0.6095(2) 0.4371(2) 1.4277(2) 0.0295(7) Uani 1.00 d
F(7) F 0.5781(2) 0.2792(3) 1.5046(2) 0.0435(8) Uani 1.00 d
F(8) F 0.6220(3) 0.0735(3) 1.4323(2) 0.0578(10) Uani 1.00 d
F(9) F 0.6971(3) 0.0315(2) 1.2780(2) 0.0541(9) Uani 1.00 d
F(10) F 0.7225(2) 0.1861(2) 1.1942(2) 0.0360(7) Uani 1.00 d
F(11) F 0.8247(2) 0.6855(2) 1.3319(2) 0.0299(7) Uani 1.00 d
F(12) F 0.7319(2) 0.8503(2) 1.3810(2) 0.0386(8) Uani 1.00 d
F(13) F 0.4983(2) 0.7908(2) 1.3547(2) 0.0425(9) Uani 1.00 d
F(14) F 0.3601(2) 0.5551(3) 1.2807(2) 0.0429(8) Uani 1.00 d
F(15) F 0.4537(2) 0.3871(2) 1.2399(2) 0.0302(7) Uani 1.00 d
F(16) F 0.4867(2) 0.1690(2) 1.1206(2) 0.0348(7) Uani 1.00 d
F(17) F 0.3695(3) 0.1004(3) 0.9357(2) 0.0493(8) Uani 1.00 d
F(18) F 0.4214(3) 0.2408(3) 0.8397(2) 0.0545(9) Uani 1.00 d
F(19) F 0.6019(3) 0.4548(3) 0.9350(2) 0.0532(9) Uani 1.00 d
F(20) F 0.7271(2) 0.5254(2) 1.1211(2) 0.0379(7) Uani 1.00 d
N(1) N 1.0324(3) 0.2108(3) 1.9187(3) 0.0275(10) Uani 1.00 d
N(2) N 0.9357(3) 0.0482(3) 1.7015(3) 0.0285(10) Uani 1.00 d
C(1) C 1.1476(4) 0.2672(4) 1.9500(3) 0.035(1) Uani 1.00 d
C(2) C 1.2233(4) 0.2817(4) 2.0383(3) 0.035(1) Uani 1.00 d
C(3) C 1.1774(4) 0.2351(4) 2.0951(3) 0.033(1) Uani 1.00 d
C(4) C 1.0562(4) 0.1738(4) 2.0648(3) 0.027(1) Uani 1.00 d
C(5) C 1.0015(4) 0.1261(4) 2.1212(3) 0.033(1) Uani 1.00 d
C(6) C 0.8835(4) 0.0718(4) 2.0900(3) 0.031(1) Uani 1.00 d
C(7) C 0.8129(4) 0.0584(4) 1.9983(3) 0.029(1) Uani 1.00 d
C(8) C 0.8602(4) 0.1007(4) 1.9395(3) 0.024(1) Uani 1.00 d
C(9) C 0.9843(4) 0.1613(4) 1.9740(3) 0.025(1) Uani 1.00 d
C(10) C 1.0222(4) 0.0508(4) 1.6651(3) 0.037(1) Uani 1.00 d
C(11) C 1.0319(4) -0.0499(5) 1.6033(4) 0.041(1) Uani 1.00 d
C(12) C 0.9490(4) -0.1594(4) 1.5776(3) 0.037(1) Uani 1.00 d
C(13) C 0.8560(4) -0.1666(4) 1.6142(3) 0.030(1) Uani 1.00 d
C(14) C 0.7663(4) -0.2765(4) 1.5915(3) 0.033(1) Uani 1.00 d
C(15) C 0.6807(4) -0.2783(4) 1.6310(3) 0.034(1) Uani 1.00 d
C(16) C 0.6794(4) -0.1724(4) 1.6965(3) 0.030(1) Uani 1.00 d
C(17) C 0.7636(4) -0.0618(4) 1.7212(3) 0.025(1) Uani 1.00 d
C(18) C 0.8520(4) -0.0604(4) 1.6781(3) 0.026(1) Uani 1.00 d
C(19) C 0.6319(4) 0.1009(5) 1.8077(4) 0.046(2) Uani 1.00 d
C(20) C 0.9011(5) 0.3589(5) 1.8749(4) 0.050(2) Uani 1.00 d
C(21) C 0.8097(5) 0.2068(5) 1.6695(4) 0.050(2) Uani 1.00 d
C(22) C 0.8345(4) 0.4524(4) 1.2777(3) 0.024(1) Uani 1.00 d
C(23) C 0.9057(3) 0.5187(4) 1.3736(3) 0.022(1) Uani 1.00 d
C(24) C 1.0254(4) 0.5518(4) 1.4084(3) 0.026(1) Uani 1.00 d
C(25) C 1.0816(4) 0.5139(4) 1.3452(3) 0.030(1) Uani 1.00 d
C(26) C 1.0171(4) 0.4466(4) 1.2496(4) 0.032(1) Uani 1.00 d
C(27) C 0.8964(4) 0.4183(4) 1.2167(3) 0.028(1) Uani 1.00 d
C(28) C 0.6639(3) 0.3189(4) 1.3036(3) 0.022(1) Uani 1.00 d
C(29) C 0.6298(3) 0.3371(4) 1.3847(3) 0.024(1) Uani 1.00 d
C(30) C 0.6156(4) 0.2567(4) 1.4282(3) 0.031(1) Uani 1.00 d
C(31) C 0.6375(4) 0.1539(4) 1.3924(3) 0.037(1) Uani 1.00 d
C(32) C 0.6742(4) 0.1323(4) 1.3137(3) 0.035(1) Uani 1.00 d
C(33) C 0.6863(4) 0.2135(4) 1.2721(3) 0.028(1) Uani 1.00 d
C(34) C 0.6451(4) 0.5258(4) 1.2871(3) 0.022(1) Uani 1.00 d
C(35) C 0.7088(4) 0.6454(4) 1.3216(3) 0.023(1) Uani 1.00 d
C(36) C 0.6630(4) 0.7354(4) 1.3470(3) 0.028(1) Uani 1.00 d
C(37) C 0.5449(4) 0.7057(4) 1.3345(3) 0.029(1) Uani 1.00 d
C(38) C 0.4762(4) 0.5876(4) 1.2969(3) 0.028(1) Uani 1.00 d
C(39) C 0.5274(4) 0.5022(4) 1.2756(3) 0.025(1) Uani 1.00 d
C(40) C 0.6174(4) 0.3510(4) 1.1317(3) 0.024(1) Uani 1.00 d
C(41) C 0.5233(4) 0.2441(4) 1.0791(3) 0.026(1) Uani 1.00 d
C(42) C 0.4590(4) 0.2053(4) 0.9815(3) 0.033(1) Uani 1.00 d
C(43) C 0.4845(4) 0.2767(4) 0.9334(3) 0.035(1) Uani 1.00 d
C(44) C 0.5756(4) 0.3834(4) 0.9814(3) 0.034(1) Uani 1.00 d
C(45) C 0.6385(4) 0.4173(4) 1.0779(3) 0.029(1) Uani 1.00 d
B B 0.6904(4) 0.4117(4) 1.2500(3) 0.023(1) Uani 1.00 d
H(1) H 1.1816 0.3000 1.9103 0.0425 Uiso 1.00 calc
H(2) H 1.3071 0.3249 2.0597 0.0429 Uiso 1.00 calc
H(3) H 1.2285 0.2448 2.1568 0.0402 Uiso 1.00 calc
H(4) H 1.0495 0.1327 2.1826 0.0396 Uiso 1.00 calc
H(5) H 0.8477 0.0417 2.1302 0.0372 Uiso 1.00 calc
H(6) H 0.7282 0.0188 1.9766 0.0358 Uiso 1.00 calc
H(7) H 1.0802 0.1270 1.6823 0.0462 Uiso 1.00 calc
H(8) H 1.0954 -0.0435 1.5772 0.0487 Uiso 1.00 calc
H(9) H 0.9539 -0.2310 1.5347 0.0448 Uiso 1.00 calc
H(10) H 0.7673 -0.3500 1.5479 0.0400 Uiso 1.00 calc
H(11) H 0.6198 -0.3526 1.6140 0.0397 Uiso 1.00 calc
H(12) H 0.6190 -0.1759 1.7253 0.0361 Uiso 1.00 calc
H(13) H 0.6441 0.1792 1.8525 0.0562 Uiso 1.00 calc
H(14) H 0.5897 0.0910 1.7443 0.0562 Uiso 1.00 calc
H(15) H 0.5848 0.0440 1.8249 0.0562 Uiso 1.00 calc
H(16) H 0.9444 0.3832 1.9412 0.0602 Uiso 1.00 calc
H(17) H 0.9277 0.4220 1.8550 0.0602 Uiso 1.00 calc
H(18) H 0.8193 0.3460 1.8683 0.0602 Uiso 1.00 calc
H(19) H 0.8424 0.2777 1.6609 0.0608 Uiso 1.00 calc
H(20) H 0.7996 0.1396 1.6133 0.0608 Uiso 1.00 calc
H(21) H 0.7339 0.2021 1.6743 0.0608 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Si Si 0.082 0.070
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
Si Pt N(1) 86.22(10) ?
Si Pt N(2) 85.56(10) ?
Si Pt C(20) 95.5(2) ?
Si Pt C(21) 95.2(2) ?
N(1) Pt N(2) 91.4(1) ?
N(1) Pt C(20) 88.6(2) ?
N(1) Pt C(21) 178.5(2) ?
N(2) Pt C(20) 178.9(2) ?
N(2) Pt C(21) 89.1(2) ?
C(20) Pt C(21) 90.9(2) ?
Pt Si C(8) 97.6(1) ?
Pt Si C(17) 98.2(1) ?
Pt Si C(19) 122.3(2) ?
C(8) Si C(17) 109.3(2) ?
C(8) Si C(19) 112.3(2) ?
C(17) Si C(19) 115.1(2) ?
Pt N(1) C(1) 122.3(3) ?
Pt N(1) C(9) 118.5(3) ?
C(1) N(1) C(9) 119.0(4) ?
Pt N(2) C(10) 122.9(3) ?
Pt N(2) C(18) 118.3(3) ?
C(10) N(2) C(18) 118.7(4) ?
N(1) C(1) C(2) 123.3(4) ?
C(1) C(2) C(3) 118.7(4) ?
C(2) C(3) C(4) 120.2(4) ?
C(3) C(4) C(5) 123.5(4) ?
C(3) C(4) C(9) 118.2(4) ?
C(5) C(4) C(9) 118.3(4) ?
C(4) C(5) C(6) 121.0(4) ?
C(5) C(6) C(7) 120.1(4) ?
C(6) C(7) C(8) 121.9(4) ?
Si C(8) C(7) 124.7(3) ?
Si C(8) C(9) 117.5(3) ?
C(7) C(8) C(9) 117.8(4) ?
N(1) C(9) C(4) 120.5(4) ?
N(1) C(9) C(8) 118.5(4) ?
C(4) C(9) C(8) 120.9(4) ?
N(2) C(10) C(11) 123.5(4) ?
C(10) C(11) C(12) 119.2(4) ?
C(11) C(12) C(13) 119.4(4) ?
C(12) C(13) C(14) 123.1(4) ?
C(12) C(13) C(18) 118.6(4) ?
C(14) C(13) C(18) 118.2(4) ?
C(13) C(14) C(15) 120.5(4) ?
C(14) C(15) C(16) 120.7(4) ?
C(15) C(16) C(17) 121.8(4) ?
Si C(17) C(16) 124.1(3) ?
Si C(17) C(18) 118.7(3) ?
C(16) C(17) C(18) 117.1(4) ?
N(2) C(18) C(13) 120.5(4) ?
N(2) C(18) C(17) 117.8(4) ?
C(13) C(18) C(17) 121.6(4) ?
C(23) C(22) C(27) 113.2(4) ?
C(23) C(22) B 118.9(3) ?
C(27) C(22) B 127.6(4) ?
F(1) C(23) C(22) 118.9(3) ?
F(1) C(23) C(24) 115.5(4) ?
C(22) C(23) C(24) 125.6(4) ?
F(2) C(24) C(23) 120.9(4) ?
F(2) C(24) C(25) 120.4(4) ?
C(23) C(24) C(25) 118.7(4) ?
F(3) C(25) C(24) 120.2(4) ?
F(3) C(25) C(26) 120.6(4) ?
C(24) C(25) C(26) 119.1(4) ?
F(4) C(26) C(25) 120.0(4) ?
F(4) C(26) C(27) 119.7(4) ?
C(25) C(26) C(27) 120.3(4) ?
F(5) C(27) C(22) 121.2(4) ?
F(5) C(27) C(26) 115.8(4) ?
C(22) C(27) C(26) 123.0(4) ?
C(29) C(28) C(33) 113.1(4) ?
C(29) C(28) B 127.4(4) ?
C(33) C(28) B 119.2(3) ?
F(6) C(29) C(28) 121.3(4) ?
F(6) C(29) C(30) 115.1(4) ?
C(28) C(29) C(30) 123.5(4) ?
F(7) C(30) C(29) 119.7(4) ?
F(7) C(30) C(31) 120.2(4) ?
C(29) C(30) C(31) 120.1(4) ?
F(8) C(31) C(30) 121.0(4) ?
F(8) C(31) C(32) 120.0(5) ?
C(30) C(31) C(32) 119.1(4) ?
F(9) C(32) C(31) 119.7(4) ?
F(9) C(32) C(33) 121.0(4) ?
C(31) C(32) C(33) 119.2(4) ?
F(10) C(33) C(28) 119.0(4) ?
F(10) C(33) C(32) 116.1(4) ?
C(28) C(33) C(32) 124.9(4) ?
C(35) C(34) C(39) 113.1(4) ?
C(35) C(34) B 127.9(4) ?
C(39) C(34) B 118.7(4) ?
F(11) C(35) C(34) 121.6(4) ?
F(11) C(35) C(36) 113.9(4) ?
C(34) C(35) C(36) 124.5(4) ?
F(12) C(36) C(35) 120.6(4) ?
F(12) C(36) C(37) 120.0(4) ?
C(35) C(36) C(37) 119.4(4) ?
F(13) C(37) C(36) 120.2(4) ?
F(13) C(37) C(38) 121.1(4) ?
C(36) C(37) C(38) 118.6(4) ?
F(14) C(38) C(37) 120.3(4) ?
F(14) C(38) C(39) 120.3(4) ?
C(37) C(38) C(39) 119.4(4) ?
F(15) C(39) C(34) 119.2(4) ?
F(15) C(39) C(38) 115.9(4) ?
C(34) C(39) C(38) 125.0(4) ?
C(41) C(40) C(45) 113.1(4) ?
C(41) C(40) B 127.4(4) ?
C(45) C(40) B 118.9(4) ?
F(16) C(41) C(40) 121.5(3) ?
F(16) C(41) C(42) 114.7(4) ?
C(40) C(41) C(42) 123.8(4) ?
F(17) C(42) C(41) 120.1(4) ?
F(17) C(42) C(43) 120.2(4) ?
C(41) C(42) C(43) 119.7(4) ?
F(18) C(43) C(42) 120.0(4) ?
F(18) C(43) C(44) 120.7(4) ?
C(42) C(43) C(44) 119.3(4) ?
F(19) C(44) C(43) 120.1(4) ?
F(19) C(44) C(45) 120.9(4) ?
C(43) C(44) C(45) 119.0(4) ?
F(20) C(45) C(40) 119.2(4) ?
F(20) C(45) C(44) 115.7(4) ?
C(40) C(45) C(44) 125.1(4) ?
C(22) B C(28) 101.9(3) ?
C(22) B C(34) 113.4(3) ?
C(22) B C(40) 113.4(3) ?
C(28) B C(34) 113.4(3) ?
C(28) B C(40) 113.6(3) ?
C(34) B C(40) 101.6(3) ?
N(1) C(1) H(1) 118.988 no
C(2) C(1) H(1) 117.727 no
C(1) C(2) H(2) 121.232 no
C(3) C(2) H(2) 120.027 no
C(2) C(3) H(3) 119.910 no
C(4) C(3) H(3) 119.892 no
C(4) C(5) H(4) 119.064 no
C(6) C(5) H(4) 119.981 no
C(5) C(6) H(5) 119.751 no
C(7) C(6) H(5) 120.120 no
C(6) C(7) H(6) 119.359 no
C(8) C(7) H(6) 118.688 no
N(2) C(10) H(7) 117.885 no
C(11) C(10) H(7) 118.648 no
C(10) C(11) H(8) 120.593 no
C(12) C(11) H(8) 120.182 no
C(11) C(12) H(9) 120.829 no
C(13) C(12) H(9) 119.803 no
C(13) C(14) H(10) 119.547 no
C(15) C(14) H(10) 119.943 no
C(14) C(15) H(11) 119.799 no
C(16) C(15) H(11) 119.451 no
C(15) C(16) H(12) 119.476 no
C(17) C(16) H(12) 118.748 no
Si C(19) H(13) 110.288 no
Si C(19) H(14) 110.911 no
Si C(19) H(15) 110.511 no
H(13) C(19) H(14) 108.467 no
H(13) C(19) H(15) 107.870 no
H(14) C(19) H(15) 108.710 no
Pt C(20) H(16) 111.280 no
Pt C(20) H(17) 110.692 no
Pt C(20) H(18) 110.053 no
H(16) C(20) H(17) 109.214 no
H(16) C(20) H(18) 108.193 no
H(17) C(20) H(18) 107.291 no
Pt C(21) H(19) 110.610 no
Pt C(21) H(20) 110.386 no
Pt C(21) H(21) 110.405 no
H(19) C(21) H(20) 108.544 no
H(19) C(21) H(21) 108.595 no
H(20) C(21) H(21) 108.231 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt Si 2.256(1) yes
Pt N(1) 2.142(3) yes
Pt N(2) 2.151(4) yes
Pt C(20) 2.036(5) yes
Pt C(21) 2.033(5) yes
Si C(8) 1.909(4) yes
Si C(17) 1.873(4) yes
Si C(19) 1.823(5) yes
F(1) C(23) 1.356(4) yes
F(2) C(24) 1.349(5) yes
F(3) C(25) 1.347(5) yes
F(4) C(26) 1.348(5) yes
F(5) C(27) 1.351(5) yes
F(6) C(29) 1.347(5) yes
F(7) C(30) 1.346(5) yes
F(8) C(31) 1.347(5) yes
F(9) C(32) 1.350(5) yes
F(10) C(33) 1.360(5) yes
F(11) C(35) 1.362(5) yes
F(12) C(36) 1.343(5) yes
F(13) C(37) 1.336(5) yes
F(14) C(38) 1.344(5) yes
F(15) C(39) 1.360(5) yes
F(16) C(41) 1.355(5) yes
F(17) C(42) 1.342(5) yes
F(18) C(43) 1.340(5) yes
F(19) C(44) 1.348(5) yes
F(20) C(45) 1.361(5) yes
N(1) C(1) 1.325(6) yes
N(1) C(9) 1.372(5) yes
N(2) C(10) 1.331(6) yes
N(2) C(18) 1.377(6) yes
C(1) C(2) 1.395(7) yes
C(2) C(3) 1.360(7) yes
C(3) C(4) 1.401(7) yes
C(4) C(5) 1.416(6) yes
C(4) C(9) 1.416(6) yes
C(5) C(6) 1.352(7) yes
C(6) C(7) 1.418(6) yes
C(7) C(8) 1.367(6) yes
C(8) C(9) 1.427(6) yes
C(10) C(11) 1.382(7) yes
C(11) C(12) 1.372(7) yes
C(12) C(13) 1.405(7) yes
C(13) C(14) 1.427(6) yes
C(13) C(18) 1.413(6) yes
C(14) C(15) 1.351(7) yes
C(15) C(16) 1.406(6) yes
C(16) C(17) 1.394(6) yes
C(17) C(18) 1.419(6) yes
C(22) C(23) 1.383(6) yes
C(22) C(27) 1.389(6) yes
C(22) B 1.652(6) yes
C(23) C(24) 1.367(6) yes
C(24) C(25) 1.369(6) yes
C(25) C(26) 1.363(7) yes
C(26) C(27) 1.385(6) yes
C(28) C(29) 1.390(6) yes
C(28) C(33) 1.390(6) yes
C(28) B 1.654(6) yes
C(29) C(30) 1.387(6) yes
C(30) C(31) 1.365(7) yes
C(31) C(32) 1.372(7) yes
C(32) C(33) 1.373(6) yes
C(34) C(35) 1.375(6) yes
C(34) C(39) 1.383(6) yes
C(34) B 1.665(6) yes
C(35) C(36) 1.390(6) yes
C(36) C(37) 1.379(6) yes
C(37) C(38) 1.369(7) yes
C(38) C(39) 1.381(6) yes
C(40) C(41) 1.387(6) yes
C(40) C(45) 1.381(6) yes
C(40) B 1.657(6) yes
C(41) C(42) 1.389(6) yes
C(42) C(43) 1.367(7) yes
C(43) C(44) 1.365(7) yes
C(44) C(45) 1.381(6) yes
C(1) H(1) 0.964 no
C(2) H(2) 0.970 no
C(3) H(3) 0.969 no
C(5) H(4) 0.963 no
C(6) H(5) 0.964 no
C(7) H(6) 0.972 no
C(10) H(7) 0.960 no
C(11) H(8) 0.970 no
C(12) H(9) 0.963 no
C(14) H(10) 0.964 no
C(15) H(11) 0.961 no
C(16) H(12) 0.962 no
C(19) H(13) 0.961 no
C(19) H(14) 0.951 no
C(19) H(15) 0.958 no
C(20) H(16) 0.946 no
C(20) H(17) 0.957 no
C(20) H(18) 0.969 no
C(21) H(19) 0.953 no
C(21) H(20) 0.958 no
C(21) H(21) 0.957 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
F(1) F(2) 2.839(3) 2_768
F(1) C(14) 3.238(5) 1_565
F(1) C(12) 3.283(5) 1_565
F(1) C(24) 3.297(5) 2_768
F(1) F(3) 3.544(4) 2_768
F(2) C(23) 3.010(5) 2_768
F(2) C(24) 3.168(5) 2_768
F(2) F(2) 3.278(5) 2_768
F(2) C(29) 3.382(5) 2_768
F(2) C(30) 3.392(5) 2_768
F(2) C(31) 3.467(5) 2_768
F(2) C(28) 3.503(4) 2_768
F(2) C(33) 3.503(5) 2_768
F(2) C(32) 3.512(5) 2_768
F(3) F(14) 2.782(4) 1_655
F(3) F(7) 2.830(4) 2_768
F(3) C(30) 3.125(5) 2_768
F(3) F(6) 3.272(4) 2_768
F(3) C(29) 3.397(5) 2_768
F(3) C(21) 3.497(6) 2_768
F(4) C(4) 2.923(5) 1_554
F(4) C(3) 3.013(5) 1_554
F(4) C(5) 3.240(5) 1_554
F(4) C(20) 3.296(6) 2_768
F(4) F(14) 3.319(4) 1_655
F(4) C(9) 3.454(5) 1_554
F(4) C(2) 3.569(5) 1_554
F(5) C(7) 3.476(5) 1_554
F(6) C(14) 3.411(5) 1_565
F(6) C(15) 3.415(5) 2_658
F(7) F(13) 2.869(4) 2_668
F(7) F(14) 3.095(4) 2_668
F(7) C(37) 3.203(5) 2_668
F(7) C(38) 3.317(5) 2_668
F(7) C(15) 3.417(6) 2_658
F(7) C(16) 3.510(5) 2_658
F(8) F(13) 3.200(4) 1_545
F(8) F(12) 3.398(4) 1_545
F(8) C(21) 3.444(6) .
F(9) F(17) 2.986(4) 2_657
F(9) F(18) 3.091(4) 2_657
F(9) F(12) 3.242(4) 1_545
F(9) C(11) 3.368(6) 2_758
F(10) C(6) 3.202(5) 1_554
F(10) F(17) 3.267(4) 2_657
F(10) C(7) 3.533(5) 1_554
F(11) C(10) 3.383(5) 2_768
F(11) C(12) 3.416(5) 1_565
F(12) F(18) 3.161(4) 2_667
F(12) C(11) 3.269(6) 2_768
F(12) C(10) 3.346(5) 2_768
F(13) F(18) 3.328(4) 2_667
F(13) C(19) 3.503(6) 2_668
F(14) F(19) 3.451(4) 2_667
F(15) C(15) 3.300(5) 2_658
F(15) C(3) 3.308(5) 1_454
F(15) C(2) 3.320(5) 1_454
F(15) C(16) 3.366(5) 2_658
F(17) C(6) 3.210(6) 2_658
F(17) C(7) 3.221(5) 2_658
F(17) C(2) 3.506(6) 1_454
F(18) C(36) 2.975(5) 2_667
F(18) C(37) 3.077(5) 2_667
F(18) C(35) 3.542(5) 2_667
F(18) C(19) 3.567(6) 1_554
F(19) C(38) 3.316(5) 2_667
F(19) C(2) 3.331(6) 2_768
F(19) C(39) 3.557(5) 2_667
F(19) C(44) 3.571(6) 2_667
F(20) C(1) 3.339(5) 2_768
C(2) C(42) 3.538(7) 1_656
C(3) C(7) 3.577(6) 2_759
C(5) C(9) 3.530(6) 2_759
C(16) C(30) 3.443(6) 2_658
C(16) C(29) 3.588(6) 2_658
C(21) C(25) 3.556(7) 2_768
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
Pt Si C(8) C(7) 169.9(3) 1_555 1_555 1_555 1_555 yes
Pt Si C(8) C(9) -11.5(3) 1_555 1_555 1_555 1_555 yes
Pt Si C(17) C(16) -174.0(3) 1_555 1_555 1_555 1_555 yes
Pt Si C(17) C(18) 10.4(3) 1_555 1_555 1_555 1_555 yes
Pt N(1) C(1) C(2) 173.0(3) 1_555 1_555 1_555 1_555 yes
Pt N(1) C(9) C(4) -172.7(3) 1_555 1_555 1_555 1_555 yes
Pt N(1) C(9) C(8) 5.2(5) 1_555 1_555 1_555 1_555 yes
Pt N(2) C(10) C(11) -176.2(4) 1_555 1_555 1_555 1_555 yes
Pt N(2) C(18) C(13) 175.5(3) 1_555 1_555 1_555 1_555 yes
Pt N(2) C(18) C(17) -5.3(5) 1_555 1_555 1_555 1_555 yes
Si Pt N(1) C(1) 174.8(3) 1_555 1_555 1_555 1_555 yes
Si Pt N(1) C(9) -10.6(3) 1_555 1_555 1_555 1_555 yes
Si Pt N(2) C(10) -172.7(3) 1_555 1_555 1_555 1_555 yes
Si Pt N(2) C(18) 9.9(3) 1_555 1_555 1_555 1_555 yes
Si C(8) C(7) C(6) 177.6(3) 1_555 1_555 1_555 1_555 yes
Si C(8) C(9) N(1) 5.3(5) 1_555 1_555 1_555 1_555 yes
Si C(8) C(9) C(4) -176.8(3) 1_555 1_555 1_555 1_555 yes
Si C(17) C(16) C(15) -176.2(3) 1_555 1_555 1_555 1_555 yes
Si C(17) C(18) N(2) -4.4(5) 1_555 1_555 1_555 1_555 yes
Si C(17) C(18) C(13) 174.8(3) 1_555 1_555 1_555 1_555 yes
F(1) C(23) C(22) C(27) -178.1(3) 1_555 1_555 1_555 1_555 yes
F(1) C(23) C(22) B -4.2(6) 1_555 1_555 1_555 1_555 yes
F(1) C(23) C(24) F(2) -4.5(6) 1_555 1_555 1_555 1_555 yes
F(1) C(23) C(24) C(25) 177.0(4) 1_555 1_555 1_555 1_555 yes
F(2) C(24) C(23) C(22) 176.1(4) 1_555 1_555 1_555 1_555 yes
F(2) C(24) C(25) F(3) 2.9(6) 1_555 1_555 1_555 1_555 yes
F(2) C(24) C(25) C(26) -177.3(4) 1_555 1_555 1_555 1_555 yes
F(3) C(25) C(24) C(23) -178.5(4) 1_555 1_555 1_555 1_555 yes
F(3) C(25) C(26) F(4) -2.1(6) 1_555 1_555 1_555 1_555 yes
F(3) C(25) C(26) C(27) -179.4(4) 1_555 1_555 1_555 1_555 yes
F(4) C(26) C(25) C(24) 178.1(4) 1_555 1_555 1_555 1_555 yes
F(4) C(26) C(27) F(5) 2.2(6) 1_555 1_555 1_555 1_555 yes
F(4) C(26) C(27) C(22) -179.4(4) 1_555 1_555 1_555 1_555 yes
F(5) C(27) C(22) C(23) 179.4(4) 1_555 1_555 1_555 1_555 yes
F(5) C(27) C(22) B 6.1(7) 1_555 1_555 1_555 1_555 yes
F(5) C(27) C(26) C(25) 179.5(4) 1_555 1_555 1_555 1_555 yes
F(6) C(29) C(28) C(33) 177.1(3) 1_555 1_555 1_555 1_555 yes
F(6) C(29) C(28) B 2.8(6) 1_555 1_555 1_555 1_555 yes
F(6) C(29) C(30) F(7) 3.3(5) 1_555 1_555 1_555 1_555 yes
F(6) C(29) C(30) C(31) -178.0(4) 1_555 1_555 1_555 1_555 yes
F(7) C(30) C(29) C(28) -177.6(4) 1_555 1_555 1_555 1_555 yes
F(7) C(30) C(31) F(8) 0.1(6) 1_555 1_555 1_555 1_555 yes
F(7) C(30) C(31) C(32) 179.2(4) 1_555 1_555 1_555 1_555 yes
F(8) C(31) C(30) C(29) -178.6(4) 1_555 1_555 1_555 1_555 yes
F(8) C(31) C(32) F(9) -1.5(7) 1_555 1_555 1_555 1_555 yes
F(8) C(31) C(32) C(33) 178.1(4) 1_555 1_555 1_555 1_555 yes
F(9) C(32) C(31) C(30) 179.5(4) 1_555 1_555 1_555 1_555 yes
F(9) C(32) C(33) F(10) -0.2(6) 1_555 1_555 1_555 1_555 yes
F(9) C(32) C(33) C(28) 179.5(4) 1_555 1_555 1_555 1_555 yes
F(10) C(33) C(28) C(29) -178.8(4) 1_555 1_555 1_555 1_555 yes
F(10) C(33) C(28) B -4.0(6) 1_555 1_555 1_555 1_555 yes
F(10) C(33) C(32) C(31) -179.8(4) 1_555 1_555 1_555 1_555 yes
F(11) C(35) C(34) C(39) -175.8(3) 1_555 1_555 1_555 1_555 yes
F(11) C(35) C(34) B -1.8(6) 1_555 1_555 1_555 1_555 yes
F(11) C(35) C(36) F(12) -1.9(5) 1_555 1_555 1_555 1_555 yes
F(11) C(35) C(36) C(37) 176.3(3) 1_555 1_555 1_555 1_555 yes
F(12) C(36) C(35) C(34) 179.4(4) 1_555 1_555 1_555 1_555 yes
F(12) C(36) C(37) F(13) 1.0(6) 1_555 1_555 1_555 1_555 yes
F(12) C(36) C(37) C(38) 178.0(4) 1_555 1_555 1_555 1_555 yes
F(13) C(37) C(36) C(35) -177.2(4) 1_555 1_555 1_555 1_555 yes
F(13) C(37) C(38) F(14) -0.9(6) 1_555 1_555 1_555 1_555 yes
F(13) C(37) C(38) C(39) 179.0(4) 1_555 1_555 1_555 1_555 yes
F(14) C(38) C(37) C(36) -177.8(4) 1_555 1_555 1_555 1_555 yes
F(14) C(38) C(39) F(15) -1.1(5) 1_555 1_555 1_555 1_555 yes
F(14) C(38) C(39) C(34) 178.3(4) 1_555 1_555 1_555 1_555 yes
F(15) C(39) C(34) C(35) 178.6(3) 1_555 1_555 1_555 1_555 yes
F(15) C(39) C(34) B 3.9(5) 1_555 1_555 1_555 1_555 yes
F(15) C(39) C(38) C(37) 179.0(3) 1_555 1_555 1_555 1_555 yes
F(16) C(41) C(40) C(45) -177.5(4) 1_555 1_555 1_555 1_555 yes
F(16) C(41) C(40) B -6.6(7) 1_555 1_555 1_555 1_555 yes
F(16) C(41) C(42) F(17) -0.7(6) 1_555 1_555 1_555 1_555 yes
F(16) C(41) C(42) C(43) 176.8(4) 1_555 1_555 1_555 1_555 yes
F(17) C(42) C(41) C(40) 179.7(4) 1_555 1_555 1_555 1_555 yes
F(17) C(42) C(43) F(18) -1.3(7) 1_555 1_555 1_555 1_555 yes
F(17) C(42) C(43) C(44) 179.7(4) 1_555 1_555 1_555 1_555 yes
F(18) C(43) C(42) C(41) -178.8(4) 1_555 1_555 1_555 1_555 yes
F(18) C(43) C(44) F(19) 1.0(7) 1_555 1_555 1_555 1_555 yes
F(18) C(43) C(44) C(45) 180.0(4) 1_555 1_555 1_555 1_555 yes
F(19) C(44) C(43) C(42) 180.0(4) 1_555 1_555 1_555 1_555 yes
F(19) C(44) C(45) F(20) -0.3(6) 1_555 1_555 1_555 1_555 yes
F(19) C(44) C(45) C(40) 179.3(4) 1_555 1_555 1_555 1_555 yes
F(20) C(45) C(40) C(41) 178.8(4) 1_555 1_555 1_555 1_555 yes
F(20) C(45) C(40) B 7.0(6) 1_555 1_555 1_555 1_555 yes
F(20) C(45) C(44) C(43) -179.3(4) 1_555 1_555 1_555 1_555 yes
N(1) Pt Si C(8) 10.0(1) 1_555 1_555 1_555 1_555 yes
N(1) Pt Si C(17) -100.8(2) 1_555 1_555 1_555 1_555 yes
N(1) Pt Si C(19) 132.4(2) 1_555 1_555 1_555 1_555 yes
N(1) Pt N(2) C(10) -86.6(4) 1_555 1_555 1_555 1_555 yes
N(1) Pt N(2) C(18) 96.0(3) 1_555 1_555 1_555 1_555 yes
N(1) C(1) C(2) C(3) 0.6(7) 1_555 1_555 1_555 1_555 yes
N(1) C(9) C(4) C(3) -1.6(6) 1_555 1_555 1_555 1_555 yes
N(1) C(9) C(4) C(5) 176.9(4) 1_555 1_555 1_555 1_555 yes
N(1) C(9) C(8) C(7) -176.0(4) 1_555 1_555 1_555 1_555 yes
N(2) Pt Si C(8) 101.7(2) 1_555 1_555 1_555 1_555 yes
N(2) Pt Si C(17) -9.2(2) 1_555 1_555 1_555 1_555 yes
N(2) Pt Si C(19) -135.9(2) 1_555 1_555 1_555 1_555 yes
N(2) Pt N(1) C(1) 89.3(4) 1_555 1_555 1_555 1_555 yes
N(2) Pt N(1) C(9) -96.0(3) 1_555 1_555 1_555 1_555 yes
N(2) C(10) C(11) C(12) -0.3(8) 1_555 1_555 1_555 1_555 yes
N(2) C(18) C(13) C(12) 2.0(6) 1_555 1_555 1_555 1_555 yes
N(2) C(18) C(13) C(14) -179.2(4) 1_555 1_555 1_555 1_555 yes
N(2) C(18) C(17) C(16) 179.7(4) 1_555 1_555 1_555 1_555 yes
C(1) N(1) Pt C(20) -89.6(4) 1_555 1_555 1_555 1_555 yes
C(1) N(1) Pt C(21) -19(7) 1_555 1_555 1_555 1_555 yes
C(1) N(1) C(9) C(4) 2.1(6) 1_555 1_555 1_555 1_555 yes
C(1) N(1) C(9) C(8) -179.9(4) 1_555 1_555 1_555 1_555 yes
C(1) C(2) C(3) C(4) 0.0(7) 1_555 1_555 1_555 1_555 yes
C(2) C(1) N(1) C(9) -1.7(7) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) -177.9(4) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(9) 0.5(6) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(5) C(6) 177.3(4) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(9) C(8) -179.4(4) 1_555 1_555 1_555 1_555 yes
C(4) C(5) C(6) C(7) 2.0(7) 1_555 1_555 1_555 1_555 yes
C(4) C(9) C(8) C(7) 1.9(6) 1_555 1_555 1_555 1_555 yes
C(5) C(4) C(9) C(8) -0.9(6) 1_555 1_555 1_555 1_555 yes
C(5) C(6) C(7) C(8) -1.0(7) 1_555 1_555 1_555 1_555 yes
C(6) C(5) C(4) C(9) -1.0(6) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(9) -1.0(6) 1_555 1_555 1_555 1_555 yes
C(7) C(8) Si C(17) -88.7(4) 1_555 1_555 1_555 1_555 yes
C(7) C(8) Si C(19) 40.3(4) 1_555 1_555 1_555 1_555 yes
C(8) Si Pt C(20) -78.2(2) 1_555 1_555 1_555 1_555 yes
C(8) Si Pt C(21) -169.6(2) 1_555 1_555 1_555 1_555 yes
C(8) Si C(17) C(16) 84.9(4) 1_555 1_555 1_555 1_555 yes
C(8) Si C(17) C(18) -90.6(3) 1_555 1_555 1_555 1_555 yes
C(9) N(1) Pt C(20) 85.1(3) 1_555 1_555 1_555 1_555 yes
C(9) N(1) Pt C(21) 155(7) 1_555 1_555 1_555 1_555 yes
C(9) C(8) Si C(17) 89.9(3) 1_555 1_555 1_555 1_555 yes
C(9) C(8) Si C(19) -141.1(3) 1_555 1_555 1_555 1_555 yes
C(10) N(2) Pt C(20) 0(8) 1_555 1_555 1_555 1_555 yes
C(10) N(2) Pt C(21) 92.0(4) 1_555 1_555 1_555 1_555 yes
C(10) N(2) C(18) C(13) -2.0(6) 1_555 1_555 1_555 1_555 yes
C(10) N(2) C(18) C(17) 177.1(4) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(12) C(13) 0.3(7) 1_555 1_555 1_555 1_555 yes
C(11) C(10) N(2) C(18) 1.2(7) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(13) C(14) -179.9(4) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(13) C(18) -1.2(7) 1_555 1_555 1_555 1_555 yes
C(12) C(13) C(14) C(15) 178.2(4) 1_555 1_555 1_555 1_555 yes
C(12) C(13) C(18) C(17) -177.1(4) 1_555 1_555 1_555 1_555 yes
C(13) C(14) C(15) C(16) -1.1(7) 1_555 1_555 1_555 1_555 yes
C(13) C(18) C(17) C(16) -1.1(6) 1_555 1_555 1_555 1_555 yes
C(14) C(13) C(18) C(17) 1.6(6) 1_555 1_555 1_555 1_555 yes
C(14) C(15) C(16) C(17) 1.7(7) 1_555 1_555 1_555 1_555 yes
C(15) C(14) C(13) C(18) -0.5(7) 1_555 1_555 1_555 1_555 yes
C(15) C(16) C(17) C(18) -0.6(6) 1_555 1_555 1_555 1_555 yes
C(16) C(17) Si C(19) -42.4(4) 1_555 1_555 1_555 1_555 yes
C(17) Si Pt C(20) 171.0(2) 1_555 1_555 1_555 1_555 yes
C(17) Si Pt C(21) 79.5(2) 1_555 1_555 1_555 1_555 yes
C(18) N(2) Pt C(20) -177(8) 1_555 1_555 1_555 1_555 yes
C(18) N(2) Pt C(21) -85.4(3) 1_555 1_555 1_555 1_555 yes
C(18) C(17) Si C(19) 142.0(3) 1_555 1_555 1_555 1_555 yes
C(19) Si Pt C(20) 44.2(3) 1_555 1_555 1_555 1_555 yes
C(19) Si Pt C(21) -47.2(3) 1_555 1_555 1_555 1_555 yes
C(22) C(23) C(24) C(25) -2.5(7) 1_555 1_555 1_555 1_555 yes
C(22) C(27) C(26) C(25) -2.1(7) 1_555 1_555 1_555 1_555 yes
C(22) B C(28) C(29) 109.7(4) 1_555 1_555 1_555 1_555 yes
C(22) B C(28) C(33) -64.4(4) 1_555 1_555 1_555 1_555 yes
C(22) B C(34) C(35) 11.8(6) 1_555 1_555 1_555 1_555 yes
C(22) B C(34) C(39) -174.5(3) 1_555 1_555 1_555 1_555 yes
C(22) B C(40) C(41) 129.7(4) 1_555 1_555 1_555 1_555 yes
C(22) B C(40) C(45) -59.8(5) 1_555 1_555 1_555 1_555 yes
C(23) C(22) C(27) C(26) 1.0(6) 1_555 1_555 1_555 1_555 yes
C(23) C(22) B C(28) -66.2(4) 1_555 1_555 1_555 1_555 yes
C(23) C(22) B C(34) 56.0(5) 1_555 1_555 1_555 1_555 yes
C(23) C(22) B C(40) 171.3(4) 1_555 1_555 1_555 1_555 yes
C(23) C(24) C(25) C(26) 1.3(6) 1_555 1_555 1_555 1_555 yes
C(24) C(23) C(22) C(27) 1.3(6) 1_555 1_555 1_555 1_555 yes
C(24) C(23) C(22) B 175.2(4) 1_555 1_555 1_555 1_555 yes
C(24) C(25) C(26) C(27) 0.8(7) 1_555 1_555 1_555 1_555 yes
C(26) C(27) C(22) B -172.3(4) 1_555 1_555 1_555 1_555 yes
C(27) C(22) B C(28) 106.8(5) 1_555 1_555 1_555 1_555 yes
C(27) C(22) B C(34) -131.0(4) 1_555 1_555 1_555 1_555 yes
C(27) C(22) B C(40) -15.7(6) 1_555 1_555 1_555 1_555 yes
C(28) C(29) C(30) C(31) 1.2(6) 1_555 1_555 1_555 1_555 yes
C(28) C(33) C(32) C(31) 0.0(7) 1_555 1_555 1_555 1_555 yes
C(28) B C(34) C(35) 127.3(4) 1_555 1_555 1_555 1_555 yes
C(28) B C(34) C(39) -58.9(5) 1_555 1_555 1_555 1_555 yes
C(28) B C(40) C(41) 13.9(6) 1_555 1_555 1_555 1_555 yes
C(28) B C(40) C(45) -175.6(4) 1_555 1_555 1_555 1_555 yes
C(29) C(28) C(33) C(32) 1.4(6) 1_555 1_555 1_555 1_555 yes
C(29) C(28) B C(34) -12.5(6) 1_555 1_555 1_555 1_555 yes
C(29) C(28) B C(40) -127.9(4) 1_555 1_555 1_555 1_555 yes
C(29) C(30) C(31) C(32) 0.4(7) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(28) C(33) -2.0(6) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(28) B -176.3(4) 1_555 1_555 1_555 1_555 yes
C(30) C(31) C(32) C(33) -1.0(7) 1_555 1_555 1_555 1_555 yes
C(32) C(33) C(28) B 176.3(4) 1_555 1_555 1_555 1_555 yes
C(33) C(28) B C(34) 173.4(3) 1_555 1_555 1_555 1_555 yes
C(33) C(28) B C(40) 58.0(5) 1_555 1_555 1_555 1_555 yes
C(34) C(35) C(36) C(37) -2.4(6) 1_555 1_555 1_555 1_555 yes
C(34) C(39) C(38) C(37) -1.6(6) 1_555 1_555 1_555 1_555 yes
C(34) B C(40) C(41) -108.2(4) 1_555 1_555 1_555 1_555 yes
C(34) B C(40) C(45) 62.3(5) 1_555 1_555 1_555 1_555 yes
C(35) C(34) C(39) C(38) -0.8(6) 1_555 1_555 1_555 1_555 yes
C(35) C(34) B C(40) -110.4(4) 1_555 1_555 1_555 1_555 yes
C(35) C(36) C(37) C(38) -0.2(6) 1_555 1_555 1_555 1_555 yes
C(36) C(35) C(34) C(39) 2.8(6) 1_555 1_555 1_555 1_555 yes
C(36) C(35) C(34) B 176.8(4) 1_555 1_555 1_555 1_555 yes
C(36) C(37) C(38) C(39) 2.1(6) 1_555 1_555 1_555 1_555 yes
C(38) C(39) C(34) B -175.4(4) 1_555 1_555 1_555 1_555 yes
C(39) C(34) B C(40) 63.4(4) 1_555 1_555 1_555 1_555 yes
C(40) C(41) C(42) C(43) -2.8(7) 1_555 1_555 1_555 1_555 yes
C(40) C(45) C(44) C(43) 0.4(7) 1_555 1_555 1_555 1_555 yes
C(41) C(40) C(45) C(44) -0.8(6) 1_555 1_555 1_555 1_555 yes
C(41) C(42) C(43) C(44) 2.2(7) 1_555 1_555 1_555 1_555 yes
C(42) C(41) C(40) C(45) 2.0(6) 1_555 1_555 1_555 1_555 yes
C(42) C(41) C(40) B 173.0(4) 1_555 1_555 1_555 1_555 yes
C(42) C(43) C(44) C(45) -1.0(7) 1_555 1_555 1_555 1_555 yes
C(44) C(45) C(40) B -172.6(4) 1_555 1_555 1_555 1_555 yes
