#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:36:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179508 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/05/4340544.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_4340544
loop_
_publ_author_name
'Ray, Matthew J.'
'Bühl, Michael'
'Taylor, Laurence J.'
'Athukorala Arachchige, Kasun S.'
'Slawin, Alexandra M. Z.'
'Kilian, Petr'
_publ_section_title
;
 Synthetic and Structural Study of the Coordination Chemistry of a
 peri-Backbone-Supported Phosphino-Phosphonium Salt.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8538
_journal_page_last               8547
_journal_paper_doi               10.1021/ic501142v
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C52 H58 Cl8 F6 O6 P4 Pt2 S2'
_chemical_formula_sum            'C52 H58 Cl8 F6 O6 P4 Pt2 S2'
_chemical_formula_weight         1754.84
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-10-26
_audit_creation_method           'by CrystalStructure 4.0'
_cell_angle_alpha                102.196(8)
_cell_angle_beta                 101.379(7)
_cell_angle_gamma                106.672(8)
_cell_formula_units_Z            1
_cell_length_a                   8.5400(10)
_cell_length_b                   12.7016(14)
_cell_length_c                   15.366(2)
_cell_measurement_reflns_used    9374
_cell_measurement_temperature    125
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      3.04
_cell_volume                     1500.3(3)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r6'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r6 (Rigaku, 2010)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r6'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      125
_diffrn_detector_area_resol_mean 14.286
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11294
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.237
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             856.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.680
_refine_diff_density_min         -1.730
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5242
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0850P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1431
_reflns_number_gt                4341
_reflns_number_total             5244
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic501142v_si_001.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 4340542--4340546.cif.'
_cod_original_cell_volume        1500.3(4)
_cod_database_code               4340544
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.12630(4) 0.11819(2) 0.10127(2) 0.02996(15) Uani 1.0 2 d .
Cl1 Cl 0.0476(4) -0.08704(19) 0.04981(18) 0.0469(7) Uani 1.0 2 d .
Cl2 Cl 0.1458(4) 0.0665(3) 0.3090(2) 0.0578(8) Uani 1.0 2 d .
Cl3 Cl 0.8421(7) 0.0717(5) 0.4110(4) 0.1182(17) Uani 1.0 2 d .
Cl4 Cl 0.5831(11) -0.0898(6) 0.4566(5) 0.189(4) Uani 1.0 2 d .
S1 S 0.0174(5) 0.6582(3) 0.2852(3) 0.0649(9) Uani 1.0 2 d .
P1 P 0.2930(3) 0.12203(19) 0.23054(17) 0.0325(6) Uani 1.0 2 d .
P9 P 0.1697(3) 0.30609(18) 0.14393(17) 0.0277(5) Uani 1.0 2 d .
F1 F -0.2890(9) 0.6375(8) 0.1986(7) 0.095(3) Uani 1.0 2 d .
F2 F -0.0984(10) 0.7880(7) 0.2017(6) 0.079(3) Uani 1.0 2 d .
F3 F -0.1774(13) 0.7712(8) 0.3253(7) 0.105(3) Uani 1.0 2 d .
O1 O 0.1569(12) 0.7529(10) 0.3414(9) 0.101(4) Uani 1.0 2 d .
O2 O -0.0558(14) 0.5733(8) 0.3272(8) 0.085(3) Uani 1.0 2 d .
O3 O 0.0373(14) 0.6120(9) 0.1918(8) 0.092(4) Uani 1.0 2 d .
C1 C 0.4500(11) 0.2494(8) 0.3050(6) 0.031(2) Uani 1.0 2 d .
C2 C 0.5749(12) 0.2354(9) 0.3703(7) 0.039(3) Uani 1.0 2 d .
C3 C 0.6988(11) 0.3265(9) 0.4421(8) 0.045(3) Uani 1.0 2 d .
C4 C 0.6935(12) 0.4345(8) 0.4465(7) 0.040(3) Uani 1.0 2 d .
C5 C 0.5717(11) 0.4507(8) 0.3826(7) 0.035(3) Uani 1.0 2 d .
C6 C 0.5792(11) 0.5644(7) 0.4012(7) 0.035(3) Uani 1.0 2 d .
C7 C 0.4637(12) 0.5960(8) 0.3492(8) 0.041(3) Uani 1.0 2 d .
C8 C 0.3398(11) 0.5102(7) 0.2732(7) 0.037(3) Uani 1.0 2 d .
C9 C 0.3303(11) 0.3970(7) 0.2493(7) 0.031(2) Uani 1.0 2 d .
C10 C 0.4427(11) 0.3611(7) 0.3072(6) 0.0286(19) Uani 1.0 2 d .
C11 C 0.8041(13) 0.5494(9) 0.5162(8) 0.050(3) Uani 1.0 2 d .
C12 C 0.7285(13) 0.6363(9) 0.4869(8) 0.049(3) Uani 1.0 2 d .
C13 C 0.3972(12) 0.0196(8) 0.2031(7) 0.039(3) Uani 1.0 2 d .
C14 C 0.3593(17) -0.0805(9) 0.2292(9) 0.060(4) Uani 1.0 2 d .
C15 C 0.444(3) -0.1572(11) 0.2026(11) 0.082(5) Uani 1.0 2 d .
C16 C 0.5559(19) -0.1315(13) 0.1512(11) 0.078(5) Uani 1.0 2 d .
C17 C 0.5894(14) -0.0328(10) 0.1235(11) 0.070(4) Uani 1.0 2 d .
C18 C 0.5118(13) 0.0447(9) 0.1504(9) 0.053(3) Uani 1.0 2 d .
C19 C -0.0263(11) 0.3305(8) 0.1589(8) 0.039(3) Uani 1.0 2 d .
C20 C -0.0798(13) 0.2820(10) 0.2344(8) 0.049(3) Uani 1.0 2 d .
C21 C -0.1719(12) 0.2859(9) 0.0693(8) 0.044(3) Uani 1.0 2 d .
C22 C 0.2323(12) 0.3627(8) 0.0513(7) 0.037(3) Uani 1.0 2 d .
C23 C 0.4017(12) 0.3518(9) 0.0447(8) 0.041(3) Uani 1.0 2 d .
C24 C 0.2310(13) 0.4831(8) 0.0529(8) 0.042(3) Uani 1.0 2 d .
C25 C -0.1430(16) 0.7116(12) 0.2488(11) 0.069(4) Uani 1.0 2 d .
C26 C 0.778(3) 0.023(2) 0.4997(15) 0.134(8) Uani 1.0 2 d .
H2 H 0.5764 0.1600 0.3661 0.0470 Uiso 1.0 2 calc R
H3 H 0.7823 0.3140 0.4856 0.0542 Uiso 1.0 2 calc R
H7 H 0.4659 0.6731 0.3633 0.0497 Uiso 1.0 2 calc R
H8 H 0.2580 0.5315 0.2361 0.0441 Uiso 1.0 2 calc R
H11A H 0.9238 0.5685 0.5139 0.0600 Uiso 1.0 2 calc R
H11B H 0.7998 0.5480 0.5799 0.0600 Uiso 1.0 2 calc R
H12A H 0.8134 0.6956 0.4714 0.0591 Uiso 1.0 2 calc R
H12B H 0.6883 0.6743 0.5368 0.0591 Uiso 1.0 2 calc R
H14 H 0.2793 -0.0969 0.2639 0.0721 Uiso 1.0 2 calc R
H15 H 0.4229 -0.2263 0.2201 0.0980 Uiso 1.0 2 calc R
H16 H 0.6128 -0.1835 0.1340 0.0935 Uiso 1.0 2 calc R
H17 H 0.6652 -0.0185 0.0862 0.0840 Uiso 1.0 2 calc R
H18 H 0.5356 0.1142 0.1335 0.0630 Uiso 1.0 2 calc R
H19 H 0.0016 0.4154 0.1809 0.0467 Uiso 1.0 2 calc R
H20A H -0.1148 0.1982 0.2139 0.0590 Uiso 1.0 2 calc R
H20B H -0.1752 0.3042 0.2479 0.0590 Uiso 1.0 2 calc R
H20C H 0.0160 0.3121 0.2905 0.0590 Uiso 1.0 2 calc R
H21A H -0.2682 0.3082 0.0813 0.0527 Uiso 1.0 2 calc R
H21B H -0.2077 0.2022 0.0473 0.0527 Uiso 1.0 2 calc R
H21C H -0.1330 0.3190 0.0219 0.0527 Uiso 1.0 2 calc R
H22 H 0.1472 0.3103 -0.0076 0.0439 Uiso 1.0 2 calc R
H23A H 0.4920 0.4070 0.0983 0.0495 Uiso 1.0 2 calc R
H23B H 0.4240 0.3675 -0.0123 0.0495 Uiso 1.0 2 calc R
H23C H 0.3988 0.2739 0.0437 0.0495 Uiso 1.0 2 calc R
H24A H 0.2521 0.4997 -0.0040 0.0507 Uiso 1.0 2 calc R
H24B H 0.3200 0.5392 0.1066 0.0507 Uiso 1.0 2 calc R
H24C H 0.1199 0.4875 0.0572 0.0507 Uiso 1.0 2 calc R
H26A H 0.7670 0.0863 0.5452 0.1613 Uiso 1.0 2 calc R
H26B H 0.8648 -0.0038 0.5319 0.1613 Uiso 1.0 2 calc R
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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl1 Pt1 Cl1 82.03(9) yes . 2_555
Cl1 Pt1 P1 89.92(9) yes . .
Cl1 Pt1 P9 173.84(9) yes . .
Cl1 Pt1 P1 170.96(10) yes 2_555 .
Cl1 Pt1 P9 93.99(9) yes 2_555 .
P1 Pt1 P9 94.36(9) yes . .
Pt1 Cl1 Pt1 97.97(11) yes . 2_555
O1 S1 O2 117.3(8) yes . .
O1 S1 O3 113.2(7) yes . .
O1 S1 C25 106.1(7) yes . .
O2 S1 O3 114.9(7) yes . .
O2 S1 C25 105.2(8) yes . .
O3 S1 C25 97.1(8) yes . .
Pt1 P1 Cl2 107.53(13) yes . .
Pt1 P1 C1 122.1(4) yes . .
Pt1 P1 C13 107.8(4) yes . .
Cl2 P1 C1 104.3(4) yes . .
Cl2 P1 C13 106.9(4) yes . .
C1 P1 C13 107.2(5) yes . .
Pt1 P9 C9 119.6(4) yes . .
Pt1 P9 C19 110.3(3) yes . .
Pt1 P9 C22 107.0(4) yes . .
C9 P9 C19 104.4(5) yes . .
C9 P9 C22 105.6(4) yes . .
C19 P9 C22 109.8(6) yes . .
P1 C1 C2 115.6(8) yes . .
P1 C1 C10 123.3(7) yes . .
C2 C1 C10 120.7(7) yes . .
C1 C2 C3 123.7(10) yes . .
C2 C3 C4 116.9(10) yes . .
C3 C4 C5 120.6(8) yes . .
C3 C4 C11 130.0(10) yes . .
C5 C4 C11 109.4(10) yes . .
C4 C5 C6 112.6(8) yes . .
C4 C5 C10 125.0(9) yes . .
C6 C5 C10 122.3(9) yes . .
C5 C6 C7 121.3(8) yes . .
C5 C6 C12 108.8(9) yes . .
C7 C6 C12 129.9(9) yes . .
C6 C7 C8 117.3(9) yes . .
C7 C8 C9 123.9(10) yes . .
P9 C9 C8 115.3(8) yes . .
P9 C9 C10 125.4(7) yes . .
C8 C9 C10 119.3(7) yes . .
C1 C10 C5 113.1(9) yes . .
C1 C10 C9 131.2(7) yes . .
C5 C10 C9 115.7(8) yes . .
C4 C11 C12 104.9(8) yes . .
C6 C12 C11 104.3(8) yes . .
P1 C13 C14 121.5(10) yes . .
P1 C13 C18 116.2(9) yes . .
C14 C13 C18 122.3(12) yes . .
C13 C14 C15 117.6(14) yes . .
C14 C15 C16 119.5(15) yes . .
C15 C16 C17 122.4(16) yes . .
C16 C17 C18 119.2(15) yes . .
C13 C18 C17 119.0(12) yes . .
P9 C19 C20 109.9(8) yes . .
P9 C19 C21 114.1(8) yes . .
C20 C19 C21 111.7(8) yes . .
P9 C22 C23 109.7(8) yes . .
P9 C22 C24 117.2(8) yes . .
C23 C22 C24 111.3(8) yes . .
S1 C25 F1 117.0(11) yes . .
S1 C25 F2 113.0(10) yes . .
S1 C25 F3 109.8(11) yes . .
F1 C25 F2 106.3(13) yes . .
F1 C25 F3 104.8(12) yes . .
F2 C25 F3 105.1(12) yes . .
Cl3 C26 Cl4 110.9(12) yes . .
C1 C2 H2 118.171 no . .
C3 C2 H2 118.160 no . .
C2 C3 H3 121.557 no . .
C4 C3 H3 121.556 no . .
C6 C7 H7 121.352 no . .
C8 C7 H7 121.370 no . .
C7 C8 H8 118.031 no . .
C9 C8 H8 118.042 no . .
C4 C11 H11A 110.760 no . .
C4 C11 H11B 110.758 no . .
C12 C11 H11A 110.768 no . .
C12 C11 H11B 110.773 no . .
H11A C11 H11B 108.836 no . .
C6 C12 H12A 110.900 no . .
C6 C12 H12B 110.891 no . .
C11 C12 H12A 110.896 no . .
C11 C12 H12B 110.899 no . .
H12A C12 H12B 108.918 no . .
C13 C14 H14 121.200 no . .
C15 C14 H14 121.189 no . .
C14 C15 H15 120.249 no . .
C16 C15 H15 120.257 no . .
C15 C16 H16 118.806 no . .
C17 C16 H16 118.801 no . .
C16 C17 H17 120.397 no . .
C18 C17 H17 120.401 no . .
C13 C18 H18 120.506 no . .
C17 C18 H18 120.509 no . .
P9 C19 H19 106.956 no . .
C20 C19 H19 106.961 no . .
C21 C19 H19 106.953 no . .
C19 C20 H20A 109.476 no . .
C19 C20 H20B 109.473 no . .
C19 C20 H20C 109.469 no . .
H20A C20 H20B 109.464 no . .
H20A C20 H20C 109.471 no . .
H20B C20 H20C 109.475 no . .
C19 C21 H21A 109.475 no . .
C19 C21 H21B 109.472 no . .
C19 C21 H21C 109.473 no . .
H21A C21 H21B 109.466 no . .
H21A C21 H21C 109.472 no . .
H21B C21 H21C 109.469 no . .
P9 C22 H22 105.942 no . .
C23 C22 H22 105.949 no . .
C24 C22 H22 105.950 no . .
C22 C23 H23A 109.473 no . .
C22 C23 H23B 109.469 no . .
C22 C23 H23C 109.469 no . .
H23A C23 H23B 109.472 no . .
H23A C23 H23C 109.473 no . .
H23B C23 H23C 109.472 no . .
C22 C24 H24A 109.462 no . .
C22 C24 H24B 109.474 no . .
C22 C24 H24C 109.468 no . .
H24A C24 H24B 109.473 no . .
H24A C24 H24C 109.469 no . .
H24B C24 H24C 109.481 no . .
Cl3 C26 H26A 109.454 no . .
Cl3 C26 H26B 109.453 no . .
Cl4 C26 H26A 109.463 no . .
Cl4 C26 H26B 109.461 no . .
H26A C26 H26B 108.055 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt1 Cl1 2.405(3) yes .
Pt1 Cl1 2.380(3) yes 2_555
Pt1 P1 2.186(3) yes .
Pt1 P9 2.236(3) yes .
Cl2 P1 1.995(5) yes .
Cl3 C26 1.73(3) yes .
Cl4 C26 1.75(2) yes .
S1 O1 1.395(9) yes .
S1 O2 1.426(12) yes .
S1 O3 1.494(13) yes .
S1 C25 1.744(17) yes .
P1 C1 1.759(7) yes .
P1 C13 1.800(12) yes .
P9 C9 1.806(8) yes .
P9 C19 1.836(11) yes .
P9 C22 1.828(12) yes .
F1 C25 1.294(13) yes .
F2 C25 1.34(2) yes .
F3 C25 1.39(2) yes .
C1 C2 1.391(14) yes .
C1 C10 1.431(14) yes .
C2 C3 1.405(12) yes .
C3 C4 1.372(16) yes .
C4 C5 1.377(15) yes .
C4 C11 1.523(12) yes .
C5 C6 1.391(14) yes .
C5 C10 1.439(10) yes .
C6 C7 1.352(15) yes .
C6 C12 1.535(12) yes .
C7 C8 1.408(11) yes .
C8 C9 1.381(13) yes .
C9 C10 1.417(14) yes .
C11 C12 1.531(18) yes .
C13 C14 1.383(17) yes .
C13 C18 1.399(18) yes .
C14 C15 1.41(3) yes .
C15 C16 1.37(3) yes .
C16 C17 1.38(3) yes .
C17 C18 1.374(19) yes .
C19 C20 1.512(18) yes .
C19 C21 1.534(13) yes .
C22 C23 1.513(16) yes .
C22 C24 1.527(15) yes .
C2 H2 0.950 no .
C3 H3 0.950 no .
C7 H7 0.950 no .
C8 H8 0.950 no .
C11 H11A 0.990 no .
C11 H11B 0.990 no .
C12 H12A 0.990 no .
C12 H12B 0.990 no .
C14 H14 0.950 no .
C15 H15 0.950 no .
C16 H16 0.950 no .
C17 H17 0.950 no .
C18 H18 0.950 no .
C19 H19 1.000 no .
C20 H20A 0.980 no .
C20 H20B 0.980 no .
C20 H20C 0.980 no .
C21 H21A 0.980 no .
C21 H21B 0.980 no .
C21 H21C 0.980 no .
C22 H22 1.000 no .
C23 H23A 0.980 no .
C23 H23B 0.980 no .
C23 H23C 0.980 no .
C24 H24A 0.980 no .
C24 H24B 0.980 no .
C24 H24C 0.980 no .
C26 H26A 0.990 no .
C26 H26B 0.990 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Cl1 C13 3.139(9) no .
Cl1 C14 3.402(14) no .
Cl1 C21 3.348(12) no 2_555
Cl1 C22 3.438(8) no 2_555
Cl2 C2 3.491(9) no .
Cl2 C14 3.190(15) no .
P1 C9 3.359(10) no .
P9 C1 3.432(10) no .
F1 O2 2.932(16) no .
F1 O3 2.915(16) no .
F2 O1 2.946(15) no .
F2 O3 2.788(16) no .
F3 O1 2.896(16) no .
F3 O2 2.985(17) no .
C1 C4 2.798(11) no .
C1 C18 3.370(16) no .
C2 C5 2.709(16) no .
C2 C13 3.085(12) no .
C2 C18 3.557(16) no .
C3 C6 3.589(16) no .
C3 C10 2.902(15) no .
C4 C7 3.571(16) no .
C5 C8 2.720(15) no .
C6 C9 2.799(10) no .
C7 C10 2.862(14) no .
C8 C19 3.181(11) no .
C8 C22 3.325(14) no .
C8 C24 3.243(16) no .
C9 C20 3.325(14) no .
C9 C23 3.285(16) no .
C9 C24 3.455(16) no .
C13 C16 2.73(2) no .
C14 C17 2.80(3) no .
C15 C18 2.78(2) no .
C19 C24 3.396(16) no .
C21 C22 3.392(15) no .
Cl1 F2 3.331(10) no 1_545
Cl2 Cl3 3.293(8) no 1_455
Cl2 F2 3.395(8) no 1_545
Cl2 C26 3.38(3) no 2_656
Cl3 Cl2 3.293(8) no 1_655
Cl3 C2 3.554(14) no .
Cl4 Cl4 3.212(13) no 2_656
Cl4 O1 3.488(12) no 1_545
Cl4 C26 3.57(3) no 2_656
F1 C7 3.449(16) no 1_455
F2 Cl1 3.331(10) no 1_565
F2 Cl2 3.395(8) no 1_565
F2 C16 3.40(2) no 1_465
F3 C6 3.421(15) no 1_455
F3 C7 3.370(14) no 1_455
F3 C12 3.398(17) no 1_455
O1 Cl4 3.488(12) no 1_565
O1 C14 3.325(19) no 1_565
O1 C26 3.16(3) no 2_666
O2 C4 3.436(16) no 1_455
O2 C5 3.473(15) no 1_455
O2 C6 3.503(16) no 1_455
O2 C11 3.391(18) no 1_455
O2 C12 3.444(18) no 1_455
O3 C8 3.352(17) no .
O3 C19 3.369(15) no .
O3 C24 3.383(18) no .
C2 Cl3 3.554(14) no .
C4 O2 3.436(16) no 1_655
C5 O2 3.473(15) no 1_655
C6 F3 3.421(15) no 1_655
C6 O2 3.503(16) no 1_655
C7 F1 3.449(16) no 1_655
C7 F3 3.370(14) no 1_655
C8 O3 3.352(17) no .
C11 O2 3.391(18) no 1_655
C12 F3 3.398(17) no 1_655
C12 O2 3.444(18) no 1_655
C14 O1 3.325(19) no 1_545
C16 F2 3.40(2) no 1_645
C19 O3 3.369(15) no .
C24 O3 3.383(18) no .
C26 Cl2 3.38(3) no 2_656
C26 Cl4 3.57(3) no 2_656
C26 O1 3.16(3) no 2_666
Pt1 H18 3.4491 no .
Pt1 H20A 3.1833 no .
Pt1 H21B 3.3388 no .
Pt1 H22 3.2214 no .
Pt1 H23C 3.0029 no .
Cl1 H14 3.5354 no .
Cl1 H21B 2.6955 no 2_555
Cl1 H21C 3.2562 no 2_555
Cl1 H22 2.7051 no 2_555
Cl2 H2 3.3883 no .
Cl2 H14 2.6739 no .
Cl2 H20A 3.4309 no .
P1 H2 2.7097 no .
P1 H14 2.9067 no .
P1 H18 2.7925 no .
P9 H8 2.7199 no .
P9 H20A 2.9466 no .
P9 H20C 2.8201 no .
P9 H21B 3.0293 no .
P9 H21C 2.9467 no .
P9 H23A 2.9714 no .
P9 H23C 2.7837 no .
P9 H24B 3.0934 no .
P9 H24C 2.9839 no .
C1 H3 3.3193 no .
C1 H18 3.1622 no .
C2 H18 3.5465 no .
C3 H11A 2.9489 no .
C3 H11B 2.9166 no .
C4 H2 3.2202 no .
C4 H12A 3.0916 no .
C4 H12B 3.0857 no .
C5 H3 3.2535 no .
C5 H7 3.2547 no .
C5 H11A 3.0166 no .
C5 H11B 3.0362 no .
C5 H12A 3.0351 no .
C5 H12B 3.0454 no .
C6 H8 3.2068 no .
C6 H11A 3.0858 no .
C6 H11B 3.0918 no .
C7 H12A 2.9437 no .
C7 H12B 2.9144 no .
C7 H24B 3.5304 no .
C8 H19 2.7333 no .
C8 H20C 3.2605 no .
C8 H23A 3.3909 no .
C8 H24B 2.6412 no .
C8 H24C 3.3837 no .
C9 H7 3.3129 no .
C9 H19 2.8900 no .
C9 H20C 2.8398 no .
C9 H23A 2.9326 no .
C9 H23C 3.4556 no .
C9 H24B 3.1249 no .
C10 H2 3.2990 no .
C10 H8 3.2628 no .
C10 H20C 3.4636 no .
C10 H23A 3.4646 no .
C11 H3 2.8716 no .
C12 H7 2.8542 no .
C13 H2 2.6132 no .
C13 H15 3.2532 no .
C13 H17 3.2544 no .
C14 H2 3.1127 no .
C14 H16 3.2563 no .
C14 H18 3.2885 no .
C15 H17 3.2607 no .
C16 H14 3.2648 no .
C16 H18 3.2384 no .
C16 H21B 3.5617 no 2_555
C17 H15 3.2613 no .
C17 H21B 3.5153 no 2_555
C18 H2 3.1933 no .
C18 H14 3.2950 no .
C18 H16 3.2274 no .
C19 H8 2.8013 no .
C19 H22 3.2011 no .
C19 H24C 2.9390 no .
C20 H21A 2.7171 no .
C20 H21B 2.7171 no .
C20 H21C 3.3584 no .
C21 H20A 2.7119 no .
C21 H20B 2.7119 no .
C21 H20C 3.3626 no .
C21 H22 3.1405 no .
C21 H24C 3.0862 no .
C22 H8 3.1018 no .
C22 H19 3.1679 no .
C22 H21C 2.9303 no .
C23 H24A 2.7043 no .
C23 H24B 2.7048 no .
C23 H24C 3.3500 no .
C24 H8 2.6990 no .
C24 H19 3.1160 no .
C24 H21C 3.0837 no .
C24 H23A 2.7017 no .
C24 H23B 2.7012 no .
C24 H23C 3.3527 no .
H2 H3 2.3504 no .
H2 H14 3.3267 no .
H2 H18 3.4269 no .
H3 H11A 3.0090 no .
H3 H11B 2.9650 no .
H7 H8 2.3495 no .
H7 H12A 3.0027 no .
H7 H12B 2.9466 no .
H8 H19 2.1387 no .
H8 H20C 3.3307 no .
H8 H24B 2.1719 no .
H8 H24C 2.6371 no .
H11A H12A 2.2354 no .
H11A H12B 2.7574 no .
H11B H12A 2.7532 no .
H11B H12B 2.2355 no .
H14 H15 2.3806 no .
H15 H16 2.3066 no .
H16 H17 2.3177 no .
H17 H18 2.3376 no .
H18 H23C 3.0483 no .
H19 H20A 2.8412 no .
H19 H20B 2.3102 no .
H19 H20C 2.3482 no .
H19 H21A 2.3307 no .
H19 H21B 2.8578 no .
H19 H21C 2.3682 no .
H19 H22 3.5302 no .
H19 H24B 3.2710 no .
H19 H24C 2.5371 no .
H20A H21A 3.0040 no .
H20A H21B 2.5423 no .
H20A H21C 3.5992 no .
H20B H21A 2.5423 no .
H20B H21B 3.0041 no .
H20B H21C 3.5992 no .
H21A H24C 3.5803 no .
H21B H22 3.3012 no .
H21C H22 2.5503 no .
H21C H24A 3.5792 no .
H21C H24C 2.4365 no .
H22 H23A 2.8319 no .
H22 H23B 2.2859 no .
H22 H23C 2.3466 no .
H22 H24A 2.2980 no .
H22 H24B 2.8418 no .
H22 H24C 2.3584 no .
H23A H24A 2.9922 no .
H23A H24B 2.5288 no .
H23A H24C 3.5904 no .
H23B H24A 2.5276 no .
H23B H24B 2.9921 no .
H23B H24C 3.5898 no .
H23C H24A 3.5946 no .
H23C H24B 3.5953 no .
Cl2 H12B 3.3414 no 2_666
Cl2 H26A 3.3691 no 2_656
Cl2 H26B 2.7362 no 2_656
Cl3 H2 2.8382 no .
Cl3 H3 3.2691 no .
Cl3 H12A 3.3629 no 2_766
Cl3 H26B 2.9104 no 2_756
Cl4 H2 3.4444 no 2_656
Cl4 H7 2.8296 no 1_545
Cl4 H14 3.4977 no .
Cl4 H15 3.4781 no .
Cl4 H26A 2.9975 no 2_656
S1 H3 3.4938 no 2_666
S1 H8 3.0621 no .
S1 H14 3.3933 no 1_565
S1 H19 3.1128 no .
S1 H26A 3.4374 no 2_666
F1 H15 3.4178 no 1_465
F1 H16 2.9286 no 1_465
F1 H22 3.5044 no 2_565
F1 H23A 2.8743 no 1_455
F1 H23B 2.8475 no 2_565
F1 H24A 3.2507 no 2_565
F1 H24B 3.1154 no 1_455
F2 H14 2.9899 no 1_565
F2 H16 2.6375 no 1_465
F2 H22 2.8738 no 2_565
F2 H23B 3.3662 no 2_565
F3 H7 3.1635 no 1_455
F3 H12A 2.6285 no 1_455
F3 H15 3.4893 no 1_465
F3 H16 3.3773 no 1_465
F3 H26A 3.4067 no 2_666
F3 H26B 3.3308 no 2_666
O1 H3 2.9533 no 2_666
O1 H7 3.0718 no .
O1 H8 3.3610 no .
O1 H14 2.5413 no 1_565
O1 H15 3.1996 no 1_565
O1 H26A 2.2167 no 2_666
O1 H26B 3.4404 no 2_666
O2 H3 3.0775 no 2_666
O2 H8 3.3764 no .
O2 H11A 2.9207 no 1_455
O2 H11A 3.5240 no 2_666
O2 H11B 3.2894 no 2_666
O2 H12A 3.0152 no 1_455
O2 H19 2.9004 no .
O2 H20B 3.1557 no .
O2 H20C 3.4945 no .
O3 H8 2.4406 no .
O3 H14 3.4852 no 1_565
O3 H15 3.2291 no 1_565
O3 H19 2.3933 no .
O3 H22 3.4315 no 2_565
O3 H24A 3.1450 no 2_565
O3 H24B 3.2272 no .
O3 H24C 2.6666 no .
C1 H12B 3.0063 no 2_666
C1 H20B 3.4037 no 1_655
C2 H12B 3.2339 no 2_666
C2 H20B 3.1726 no 1_655
C3 H7 3.5465 no 2_666
C3 H11A 2.9863 no 2_766
C3 H12B 3.3822 no 2_666
C3 H20B 3.3508 no 1_655
C4 H11A 3.2171 no 2_766
C4 H12B 3.2408 no 2_666
C5 H11B 3.3390 no 2_666
C5 H12B 2.9800 no 2_666
C6 H11B 3.2403 no 2_666
C7 H11B 3.0082 no 2_666
C7 H15 3.3489 no 1_565
C8 H11B 2.8862 no 2_666
C8 H15 3.5199 no 1_565
C9 H11B 3.0711 no 2_666
C10 H11B 3.2529 no 2_666
C10 H12B 2.9030 no 2_666
C11 H3 3.4679 no 2_766
C11 H11A 3.1596 no 2_766
C11 H20C 2.9528 no 2_666
C12 H20C 3.4904 no 2_666
C15 H24B 3.5783 no 1_545
C16 H23B 3.3628 no 2_655
C16 H23C 3.3107 no 2_655
C17 H20A 3.0918 no 1_655
C17 H21B 3.5479 no 1_655
C17 H23C 3.5975 no 2_655
C18 H17 3.5571 no 2_655
C18 H20A 3.0534 no 1_655
C18 H20B 3.3961 no 1_655
C18 H21B 3.5125 no 1_655
C20 H11B 3.2038 no 2_666
C20 H18 3.2113 no 1_455
C21 H18 3.2758 no 1_455
C21 H23C 3.5639 no 1_455
C21 H24A 3.2927 no 2_565
C23 H16 3.0594 no 2_655
C23 H21A 2.9955 no 1_655
C23 H24A 3.2739 no 2_665
C24 H21C 3.2241 no 2_565
C24 H23B 3.2697 no 2_665
C24 H24C 3.3003 no 2_565
C25 H12A 3.5546 no 1_455
C25 H16 3.2201 no 1_465
C26 H2 3.4722 no .
C26 H26B 3.2507 no 2_756
H2 Cl3 2.8382 no .
H2 Cl4 3.4444 no 2_656
H2 C26 3.4722 no .
H2 H20B 3.4423 no 1_655
H2 H26A 3.3610 no .
H3 Cl3 3.2691 no .
H3 S1 3.4938 no 2_666
H3 O1 2.9533 no 2_666
H3 O2 3.0775 no 2_666
H3 C11 3.4679 no 2_766
H3 H7 3.4490 no 2_666
H3 H11A 2.5227 no 2_766
H3 H12A 3.4272 no 2_766
H3 H26A 3.1888 no .
H7 Cl4 2.8296 no 1_565
H7 F3 3.1635 no 1_655
H7 O1 3.0718 no .
H7 C3 3.5465 no 2_666
H7 H3 3.4490 no 2_666
H7 H11B 3.4579 no 2_666
H7 H15 2.7835 no 1_565
H8 S1 3.0621 no .
H8 O1 3.3610 no .
H8 O2 3.3764 no .
H8 O3 2.4406 no .
H8 H11B 3.2755 no 2_666
H8 H15 3.0791 no 1_565
H11A O2 2.9207 no 1_655
H11A O2 3.5240 no 2_666
H11A C3 2.9863 no 2_766
H11A C4 3.2171 no 2_766
H11A C11 3.1596 no 2_766
H11A H3 2.5227 no 2_766
H11A H11A 2.4715 no 2_766
H11A H11B 3.5039 no 2_766
H11A H20C 2.9354 no 2_666
H11B O2 3.2894 no 2_666
H11B C5 3.3390 no 2_666
H11B C6 3.2403 no 2_666
H11B C7 3.0082 no 2_666
H11B C8 2.8862 no 2_666
H11B C9 3.0711 no 2_666
H11B C10 3.2529 no 2_666
H11B C20 3.2038 no 2_666
H11B H7 3.4579 no 2_666
H11B H8 3.2755 no 2_666
H11B H11A 3.5039 no 2_766
H11B H20B 3.4507 no 2_666
H11B H20C 2.2945 no 2_666
H12A Cl3 3.3629 no 2_766
H12A F3 2.6285 no 1_655
H12A O2 3.0152 no 1_655
H12A C25 3.5546 no 1_655
H12A H3 3.4272 no 2_766
H12B Cl2 3.3414 no 2_666
H12B C1 3.0063 no 2_666
H12B C2 3.2339 no 2_666
H12B C3 3.3822 no 2_666
H12B C4 3.2408 no 2_666
H12B C5 2.9800 no 2_666
H12B C10 2.9030 no 2_666
H12B H20C 3.2193 no 2_666
H14 Cl4 3.4977 no .
H14 S1 3.3933 no 1_545
H14 F2 2.9899 no 1_545
H14 O1 2.5413 no 1_545
H14 O3 3.4852 no 1_545
H14 H26A 3.0172 no 2_656
H15 Cl4 3.4781 no .
H15 F1 3.4178 no 1_645
H15 F3 3.4893 no 1_645
H15 O1 3.1996 no 1_545
H15 O3 3.2291 no 1_545
H15 C7 3.3489 no 1_545
H15 C8 3.5199 no 1_545
H15 H7 2.7835 no 1_545
H15 H8 3.0791 no 1_545
H15 H24B 2.8961 no 1_545
H16 F1 2.9286 no 1_645
H16 F2 2.6375 no 1_645
H16 F3 3.3773 no 1_645
H16 C23 3.0594 no 2_655
H16 C25 3.2201 no 1_645
H16 H22 3.5650 no 2_655
H16 H23B 2.5613 no 2_655
H16 H23C 2.7002 no 2_655
H16 H24B 3.5691 no 1_545
H17 C18 3.5571 no 2_655
H17 H18 3.2567 no 2_655
H17 H20A 2.8729 no 1_655
H17 H21B 2.9346 no 1_655
H17 H23C 3.2587 no 2_655
H18 C20 3.2113 no 1_655
H18 C21 3.2758 no 1_655
H18 H17 3.2567 no 2_655
H18 H20A 2.7817 no 1_655
H18 H20B 2.8441 no 1_655
H18 H21A 2.9197 no 1_655
H18 H21B 2.8593 no 1_655
H19 S1 3.1128 no .
H19 O2 2.9004 no .
H19 O3 2.3933 no .
H20A C17 3.0918 no 1_455
H20A C18 3.0534 no 1_455
H20A H17 2.8729 no 1_455
H20A H18 2.7817 no 1_455
H20B O2 3.1557 no .
H20B C1 3.4037 no 1_455
H20B C2 3.1726 no 1_455
H20B C3 3.3508 no 1_455
H20B C18 3.3961 no 1_455
H20B H2 3.4423 no 1_455
H20B H11B 3.4507 no 2_666
H20B H18 2.8441 no 1_455
H20C O2 3.4945 no .
H20C C11 2.9528 no 2_666
H20C C12 3.4904 no 2_666
H20C H11A 2.9354 no 2_666
H20C H11B 2.2945 no 2_666
H20C H12B 3.2193 no 2_666
H21A C23 2.9955 no 1_455
H21A H18 2.9197 no 1_455
H21A H23A 2.7171 no 1_455
H21A H23B 3.1060 no 1_455
H21A H23C 2.6735 no 1_455
H21A H24A 2.9123 no 2_565
H21B C17 3.5479 no 1_455
H21B C18 3.5125 no 1_455
H21B H17 2.9346 no 1_455
H21B H18 2.8593 no 1_455
H21C C24 3.2241 no 2_565
H21C H24A 2.8137 no 2_565
H21C H24B 3.4070 no 2_565
H21C H24C 2.9477 no 2_565
H22 F1 3.5044 no 2_565
H22 F2 2.8738 no 2_565
H22 O3 3.4315 no 2_565
H22 H16 3.5650 no 2_655
H23A F1 2.8743 no 1_655
H23A H21A 2.7171 no 1_655
H23A H23B 3.3556 no 2_665
H23A H24A 2.9617 no 2_665
H23B F1 2.8475 no 2_565
H23B F2 3.3662 no 2_565
H23B C16 3.3628 no 2_655
H23B C24 3.2697 no 2_665
H23B H16 2.5613 no 2_655
H23B H21A 3.1060 no 1_655
H23B H23A 3.3556 no 2_665
H23B H23B 3.1489 no 2_665
H23B H24A 2.7258 no 2_665
H23B H24B 2.9619 no 2_665
H23C C16 3.3107 no 2_655
H23C C17 3.5975 no 2_655
H23C C21 3.5639 no 1_655
H23C H16 2.7002 no 2_655
H23C H17 3.2587 no 2_655
H23C H21A 2.6735 no 1_655
H24A F1 3.2507 no 2_565
H24A O3 3.1450 no 2_565
H24A C21 3.2927 no 2_565
H24A C23 3.2739 no 2_665
H24A H21A 2.9123 no 2_565
H24A H21C 2.8137 no 2_565
H24A H23A 2.9617 no 2_665
H24A H23B 2.7258 no 2_665
H24A H24C 3.1805 no 2_565
H24B F1 3.1154 no 1_655
H24B O3 3.2272 no .
H24B C15 3.5783 no 1_565
H24B H15 2.8961 no 1_565
H24B H16 3.5691 no 1_565
H24B H21C 3.4070 no 2_565
H24B H23B 2.9619 no 2_665
H24C O3 2.6666 no .
H24C C24 3.3003 no 2_565
H24C H21C 2.9477 no 2_565
H24C H24A 3.1805 no 2_565
H24C H24C 2.5639 no 2_565
H26A Cl2 3.3691 no 2_656
H26A Cl4 2.9975 no 2_656
H26A S1 3.4374 no 2_666
H26A F3 3.4067 no 2_666
H26A O1 2.2167 no 2_666
H26A H2 3.3610 no .
H26A H3 3.1888 no .
H26A H14 3.0172 no 2_656
H26B Cl2 2.7362 no 2_656
H26B Cl3 2.9104 no 2_756
H26B F3 3.3308 no 2_666
H26B O1 3.4404 no 2_666
H26B C26 3.2507 no 2_756
H26B H26B 2.6661 no 2_756
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl1 Pt1 Cl1 Pt1 0.00(11) no . 2_555 2_555
Cl1 Pt1 Cl1 Pt1 0.00(11) no 2_555 . 2_555
Cl1 Pt1 P1 Cl2 -75.29(12) no . . .
Cl1 Pt1 P1 C1 164.39(17) no . . .
Cl1 Pt1 P1 C13 39.68(13) no . . .
P1 Pt1 Cl1 Pt1 -175.87(11) no . . 2_555
Cl1 Pt1 P9 C9 -168.36(15) no 2_555 . .
Cl1 Pt1 P9 C19 70.72(14) no 2_555 . .
Cl1 Pt1 P9 C22 -48.65(12) no 2_555 . .
P9 Pt1 Cl1 Pt1 -175.27(11) no . 2_555 2_555
P1 Pt1 P9 C9 8.18(16) no . . .
P1 Pt1 P9 C19 -112.74(13) no . . .
P1 Pt1 P9 C22 127.89(11) no . . .
P9 Pt1 P1 Cl2 100.28(12) no . . .
P9 Pt1 P1 C1 -20.04(17) no . . .
P9 Pt1 P1 C13 -144.75(12) no . . .
O1 S1 C25 F1 -176.9(12) no . . .
O1 S1 C25 F2 59.2(11) no . . .
O1 S1 C25 F3 -57.6(11) no . . .
O2 S1 C25 F1 -51.9(13) no . . .
O2 S1 C25 F2 -175.8(8) no . . .
O2 S1 C25 F3 67.3(9) no . . .
O3 S1 C25 F1 66.4(13) no . . .
O3 S1 C25 F2 -57.5(9) no . . .
O3 S1 C25 F3 -174.3(8) no . . .
Pt1 P1 C1 C2 -163.3(5) no . . .
Pt1 P1 C1 C10 23.7(10) no . . .
Pt1 P1 C13 C14 -110.5(6) no . . .
Pt1 P1 C13 C18 66.6(6) no . . .
Cl2 P1 C1 C2 74.9(7) no . . .
Cl2 P1 C1 C10 -98.1(7) no . . .
Cl2 P1 C13 C14 4.9(7) no . . .
Cl2 P1 C13 C18 -178.0(5) no . . .
C1 P1 C13 C14 116.3(7) no . . .
C1 P1 C13 C18 -66.6(7) no . . .
C13 P1 C1 C2 -38.3(9) no . . .
C13 P1 C1 C10 148.7(8) no . . .
Pt1 P9 C9 C8 -175.8(5) no . . .
Pt1 P9 C9 C10 4.1(10) no . . .
Pt1 P9 C19 C20 61.5(5) no . . .
Pt1 P9 C19 C21 -64.8(7) no . . .
Pt1 P9 C22 C23 -65.2(5) no . . .
Pt1 P9 C22 C24 166.7(4) no . . .
C9 P9 C19 C20 -68.1(6) no . . .
C9 P9 C19 C21 165.6(6) no . . .
C19 P9 C9 C8 -51.9(8) no . . .
C19 P9 C9 C10 127.9(8) no . . .
C9 P9 C22 C23 63.2(6) no . . .
C9 P9 C22 C24 -65.0(7) no . . .
C22 P9 C9 C8 63.8(8) no . . .
C22 P9 C9 C10 -116.4(8) no . . .
C19 P9 C22 C23 175.1(5) no . . .
C19 P9 C22 C24 47.0(6) no . . .
C22 P9 C19 C20 179.1(5) no . . .
C22 P9 C19 C21 52.9(7) no . . .
P1 C1 C2 C3 -172.4(7) no . . .
P1 C1 C10 C5 171.5(7) no . . .
P1 C1 C10 C9 -7.5(16) no . . .
C2 C1 C10 C5 -1.2(14) no . . .
C2 C1 C10 C9 179.8(10) no . . .
C10 C1 C2 C3 0.8(16) no . . .
C1 C2 C3 C4 0.0(17) no . . .
C2 C3 C4 C5 -0.3(16) no . . .
C2 C3 C4 C11 178.0(10) no . . .
C3 C4 C5 C6 176.3(10) no . . .
C3 C4 C5 C10 -0.3(17) no . . .
C3 C4 C11 C12 -176.8(11) no . . .
C5 C4 C11 C12 1.6(12) no . . .
C11 C4 C5 C6 -2.3(13) no . . .
C11 C4 C5 C10 -178.9(9) no . . .
C4 C5 C6 C7 -176.1(9) no . . .
C4 C5 C6 C12 2.0(12) no . . .
C4 C5 C10 C1 1.0(15) no . . .
C4 C5 C10 C9 -179.8(10) no . . .
C6 C5 C10 C1 -175.3(9) no . . .
C6 C5 C10 C9 3.9(15) no . . .
C10 C5 C6 C7 0.6(16) no . . .
C10 C5 C6 C12 178.7(9) no . . .
C5 C6 C7 C8 -2.6(16) no . . .
C5 C6 C12 C11 -0.8(12) no . . .
C7 C6 C12 C11 177.1(11) no . . .
C12 C6 C7 C8 179.7(10) no . . .
C6 C7 C8 C9 0.0(17) no . . .
C7 C8 C9 P9 -175.5(9) no . . .
C7 C8 C9 C10 4.6(16) no . . .
P9 C9 C10 C1 -7.1(16) no . . .
P9 C9 C10 C5 173.9(7) no . . .
C8 C9 C10 C1 172.7(10) no . . .
C8 C9 C10 C5 -6.2(14) no . . .
C4 C11 C12 C6 -0.4(11) no . . .
P1 C13 C14 C15 178.3(6) no . . .
P1 C13 C18 C17 -177.0(6) no . . .
C14 C13 C18 C17 0.1(14) no . . .
C18 C13 C14 C15 1.4(14) no . . .
C13 C14 C15 C16 -1.2(17) no . . .
C14 C15 C16 C17 -0.5(19) no . . .
C15 C16 C17 C18 2.0(18) no . . .
C16 C17 C18 C13 -1.8(16) no . . .
