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#$Date: 2022-06-24 12:27:30 +0300 (Fri, 24 Jun 2022) $
#$Revision: 276242 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/55/8105511.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_8105511
loop_
_publ_author_name
'Lee, See Mun'
'Lo, Kong Mun'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of dichlorido-bis(tri-4-tolylphosphane
 oxide-\kO)-di(4-chlorophenyl-\kC)tin(IV), C54H50Cl4O2P2Sn
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1523
_journal_page_last               1525
_journal_paper_doi               10.1515/ncrs-2020-0377
_journal_volume                  235
_journal_year                    2020
_chemical_formula_moiety         'C54 H50 Cl4 O2 P2 Sn'
_chemical_formula_sum            'C54 H50 Cl4 O2 P2 Sn'
_chemical_formula_weight         1053.37
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                94.1520(10)
_cell_angle_beta                 107.195(2)
_cell_angle_gamma                112.549(2)
_cell_formula_units_Z            1
_cell_length_a                   10.6360(2)
_cell_length_b                   10.8406(2)
_cell_length_c                   12.5727(2)
_cell_measurement_reflns_used    23674
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.3720
_cell_measurement_theta_min      3.7480
_cell_volume                     1250.31(5)
_computing_cell_refinement       'CrysAlisPro [1]'
_computing_data_collection       'CrysAlisPro [1]'
_computing_data_reduction        'CrysAlisPro [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2018/3 [3]'
_computing_structure_refinement  'SHELXL-2018/3 [3]'
_computing_structure_solution    'SHELXT 2014/5 [2]'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2558
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29831
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.081
_diffrn_reflns_theta_max         67.081
_diffrn_reflns_theta_min         3.765
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    6.944
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro [1]'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_description       prism
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.155
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.069
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4456
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0195
_refine_ls_R_factor_gt           0.0194
_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)+(0.0348P)²+0.4232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0529
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4442
_reflns_number_total             4456
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2020-0377_suppl.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        1250.31(4)
_cod_database_code               8105511
_shelx_shelxl_version_number     2018/3
_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_min   0.412
_shelx_estimated_absorpt_t_max   0.646
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
Sn Sn 0.500000 0.500000 0.500000 0.01135(6) Uani 1 2 d S . P . .
Cl1 Cl 0.48213(4) 0.28146(4) 0.39601(3) 0.02058(9) Uani 1 1 d . . . . .
Cl2 Cl -0.10294(5) 0.14634(6) 0.60456(5) 0.04445(14) Uani 1 1 d . . . . .
P1 P 0.72827(4) 0.49620(4) 0.77255(3) 0.01281(9) Uani 1 1 d . . . . .
O1 O 0.60867(12) 0.45710(11) 0.65899(9) 0.0167(2) Uani 1 1 d . . . . .
C1 C 0.30138(16) 0.38557(17) 0.52719(13) 0.0152(3) Uani 1 1 d . . . . .
C2 C 0.27049(18) 0.25421(18) 0.54681(15) 0.0208(3) Uani 1 1 d . . . . .
H2 H 0.335669 0.214778 0.544315 0.025 Uiso 1 1 calc R U . . .
C3 C 0.1460(2) 0.1796(2) 0.57000(16) 0.0260(4) Uani 1 1 d . . . . .
H3 H 0.126456 0.090463 0.584241 0.031 Uiso 1 1 calc R U . . .
C4 C 0.05127(19) 0.2377(2) 0.57192(15) 0.0257(4) Uani 1 1 d . . . . .
C5 C 0.07686(19) 0.36607(19) 0.55054(15) 0.0238(4) Uani 1 1 d . . . . .
H5 H 0.009405 0.403466 0.550625 0.029 Uiso 1 1 calc R U . . .
C6 C 0.20254(18) 0.44062(18) 0.52878(14) 0.0189(3) Uani 1 1 d . . . . .
H6 H 0.221385 0.529821 0.514866 0.023 Uiso 1 1 calc R U . . .
C7 C 0.90243(17) 0.60417(16) 0.76815(13) 0.0147(3) Uani 1 1 d . . . . .
C8 C 1.00713(17) 0.55561(17) 0.76938(14) 0.0177(3) Uani 1 1 d . . . . .
H8 H 0.991071 0.465798 0.780436 0.021 Uiso 1 1 calc R U . . .
C9 C 1.13457(18) 0.63917(18) 0.75439(15) 0.0215(4) Uani 1 1 d . . . . .
H9 H 1.205633 0.605861 0.756214 0.026 Uiso 1 1 calc R U . . .
C10 C 1.16047(18) 0.77025(18) 0.73682(15) 0.0215(4) Uani 1 1 d . . . . .
C11 C 1.05491(18) 0.81763(17) 0.73533(14) 0.0199(3) Uani 1 1 d . . . . .
H11 H 1.070937 0.907234 0.723679 0.024 Uiso 1 1 calc R U . . .
C12 C 0.92714(17) 0.73581(17) 0.75062(14) 0.0171(3) Uani 1 1 d . . . . .
H12 H 0.856420 0.769460 0.749156 0.020 Uiso 1 1 calc R U . . .
C13 C 1.2985(2) 0.8581(2) 0.7189(2) 0.0342(5) Uani 1 1 d . . . . .
H13A H 1.375140 0.907273 0.792849 0.051 Uiso 1 1 calc R U . . .
H13B H 1.281534 0.924005 0.673803 0.051 Uiso 1 1 calc R U . . .
H13C H 1.328611 0.800314 0.678271 0.051 Uiso 1 1 calc R U . . .
C14 C 0.69504(17) 0.58366(16) 0.88010(14) 0.0151(3) Uani 1 1 d . . . . .
C15 C 0.80447(17) 0.65539(17) 0.98559(14) 0.0186(3) Uani 1 1 d . . . . .
H15 H 0.899399 0.660442 1.000256 0.022 Uiso 1 1 calc R U . . .
C16 C 0.77508(18) 0.71882(17) 1.06839(15) 0.0200(3) Uani 1 1 d . . . . .
H16 H 0.849930 0.766306 1.139898 0.024 Uiso 1 1 calc R U . . .
C17 C 0.63699(19) 0.71408(16) 1.04843(15) 0.0195(3) Uani 1 1 d . . . . .
C18 C 0.52886(18) 0.64266(17) 0.94330(15) 0.0196(3) Uani 1 1 d . . . . .
H18 H 0.434222 0.638382 0.928598 0.024 Uiso 1 1 calc R U . . .
C19 C 0.55643(17) 0.57766(16) 0.85961(14) 0.0173(3) Uani 1 1 d . . . . .
H19 H 0.481088 0.529183 0.788529 0.021 Uiso 1 1 calc R U . . .
C20 C 0.6072(2) 0.7870(2) 1.13763(17) 0.0288(4) Uani 1 1 d . . . . .
H20A H 0.516807 0.796357 1.102680 0.043 Uiso 1 1 calc R U . . .
H20B H 0.687805 0.877764 1.171161 0.043 Uiso 1 1 calc R U . . .
H20C H 0.597698 0.734312 1.197247 0.043 Uiso 1 1 calc R U . . .
C21 C 0.73420(16) 0.34161(16) 0.81115(13) 0.0147(3) Uani 1 1 d . . . . .
C22 C 0.67015(17) 0.22399(17) 0.72528(14) 0.0174(3) Uani 1 1 d . . . . .
H22 H 0.624531 0.226779 0.648705 0.021 Uiso 1 1 calc R U . . .
C23 C 0.67350(18) 0.10320(17) 0.75236(15) 0.0205(3) Uani 1 1 d . . . . .
H23 H 0.629173 0.023360 0.693830 0.025 Uiso 1 1 calc R U . . .
C24 C 0.74065(18) 0.09702(17) 0.86372(15) 0.0214(4) Uani 1 1 d . . . . .
C25 C 0.80076(18) 0.21415(18) 0.94902(15) 0.0208(3) Uani 1 1 d . . . . .
H25 H 0.844146 0.210667 1.025852 0.025 Uiso 1 1 calc R U . . .
C26 C 0.79813(17) 0.33527(17) 0.92337(14) 0.0183(3) Uani 1 1 d . . . . .
H26 H 0.839986 0.414269 0.982389 0.022 Uiso 1 1 calc R U . . .
C27 C 0.7512(3) -0.0317(2) 0.89280(19) 0.0399(5) Uani 1 1 d . . . . .
H27A H 0.675880 -0.110302 0.833045 0.060 Uiso 1 1 calc R U . . .
H27B H 0.737259 -0.042571 0.965779 0.060 Uiso 1 1 calc R U . . .
H27C H 0.847232 -0.025965 0.898517 0.060 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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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
C1 Sn C1 180.0 . 2_666
C1 Sn O1 86.13(5) . .
C1 Sn O1 93.87(5) 2_666 .
C1 Sn O1 93.87(5) . 2_666
C1 Sn O1 86.13(5) 2_666 2_666
O1 Sn O1 180.00(6) . 2_666
C1 Sn Cl1 89.71(4) . .
C1 Sn Cl1 90.29(4) 2_666 .
O1 Sn Cl1 88.52(3) . .
O1 Sn Cl1 91.48(3) 2_666 .
C1 Sn Cl1 90.29(4) . 2_666
C1 Sn Cl1 89.71(4) 2_666 2_666
O1 Sn Cl1 91.48(3) . 2_666
O1 Sn Cl1 88.52(3) 2_666 2_666
Cl1 Sn Cl1 180.000(17) . 2_666
O1 P1 C14 111.32(7) . .
O1 P1 C7 112.27(7) . .
C14 P1 C7 108.00(7) . .
O1 P1 C21 107.65(7) . .
C14 P1 C21 109.02(7) . .
C7 P1 C21 108.51(7) . .
P1 O1 Sn 152.99(7) . .
C2 C1 C6 118.51(15) . .
C2 C1 Sn 119.73(12) . .
C6 C1 Sn 121.74(12) . .
C1 C2 C3 121.22(16) . .
C1 C2 H2 119.4 . .
C3 C2 H2 119.4 . .
C4 C3 C2 118.72(17) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C5 C4 C3 121.58(16) . .
C5 C4 Cl2 119.46(14) . .
C3 C4 Cl2 118.95(15) . .
C4 C5 C6 119.30(16) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C5 C6 C1 120.64(16) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
C12 C7 C8 119.35(15) . .
C12 C7 P1 118.35(12) . .
C8 C7 P1 121.93(13) . .
C9 C8 C7 119.75(16) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C8 121.47(16) . .
C10 C9 H9 119.3 . .
C8 C9 H9 119.3 . .
C9 C10 C11 118.32(15) . .
C9 C10 C13 120.49(16) . .
C11 C10 C13 121.19(17) . .
C12 C11 C10 121.03(16) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C11 C12 C7 120.07(15) . .
C11 C12 H12 120.0 . .
C7 C12 H12 120.0 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C19 C14 C15 119.18(15) . .
C19 C14 P1 119.38(12) . .
C15 C14 P1 121.43(12) . .
C16 C15 C14 120.35(15) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 120.88(16) . .
C15 C16 H16 119.6 . .
C17 C16 H16 119.6 . .
C16 C17 C18 118.40(15) . .
C16 C17 C20 120.51(16) . .
C18 C17 C20 121.08(16) . .
C19 C18 C17 121.39(15) . .
C19 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C18 C19 C14 119.80(15) . .
C18 C19 H19 120.1 . .
C14 C19 H19 120.1 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C26 C21 C22 119.47(15) . .
C26 C21 P1 122.13(12) . .
C22 C21 P1 118.39(12) . .
C23 C22 C21 119.73(15) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C24 C23 C22 121.12(16) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C23 C24 C25 118.56(16) . .
C23 C24 C27 121.41(16) . .
C25 C24 C27 120.03(16) . .
C26 C25 C24 120.96(16) . .
C26 C25 H25 119.5 . .
C24 C25 H25 119.5 . .
C25 C26 C21 120.11(15) . .
C25 C26 H26 119.9 . .
C21 C26 H26 119.9 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn C1 2.1441(15) .
Sn C1 2.1441(15) 2_666
Sn O1 2.1746(11) .
Sn O1 2.1746(11) 2_666
Sn Cl1 2.5333(4) .
Sn Cl1 2.5333(4) 2_666
Cl2 C4 1.7466(17) .
P1 O1 1.5037(11) .
P1 C14 1.7906(16) .
P1 C7 1.7920(16) .
P1 C21 1.7969(16) .
C1 C2 1.392(2) .
C1 C6 1.398(2) .
C2 C3 1.390(2) .
C2 H2 0.9500 .
C3 C4 1.383(3) .
C3 H3 0.9500 .
C4 C5 1.374(3) .
C5 C6 1.391(2) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.395(2) .
C7 C8 1.399(2) .
C8 C9 1.388(2) .
C8 H8 0.9500 .
C9 C10 1.387(3) .
C9 H9 0.9500 .
C10 C11 1.399(2) .
C10 C13 1.506(2) .
C11 C12 1.387(2) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C19 1.394(2) .
C14 C15 1.401(2) .
C15 C16 1.381(2) .
C15 H15 0.9500 .
C16 C17 1.395(2) .
C16 H16 0.9500 .
C17 C18 1.393(2) .
C17 C20 1.502(2) .
C18 C19 1.387(2) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C26 1.393(2) .
C21 C22 1.398(2) .
C22 C23 1.387(2) .
C22 H22 0.9500 .
C23 C24 1.391(2) .
C23 H23 0.9500 .
C24 C25 1.395(2) .
C24 C27 1.504(3) .
C25 C26 1.383(2) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 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
C14 P1 O1 Sn 81.78(16) . . . .
C7 P1 O1 Sn -39.44(17) . . . .
C21 P1 O1 Sn -158.79(14) . . . .
C6 C1 C2 C3 -1.4(3) . . . .
Sn C1 C2 C3 176.98(13) . . . .
C1 C2 C3 C4 0.8(3) . . . .
C2 C3 C4 C5 0.6(3) . . . .
C2 C3 C4 Cl2 -178.39(14) . . . .
C3 C4 C5 C6 -1.4(3) . . . .
Cl2 C4 C5 C6 177.61(13) . . . .
C4 C5 C6 C1 0.8(3) . . . .
C2 C1 C6 C5 0.6(2) . . . .
Sn C1 C6 C5 -177.74(12) . . . .
O1 P1 C7 C12 67.26(14) . . . .
C14 P1 C7 C12 -55.84(14) . . . .
C21 P1 C7 C12 -173.89(12) . . . .
O1 P1 C7 C8 -105.72(14) . . . .
C14 P1 C7 C8 131.18(13) . . . .
C21 P1 C7 C8 13.13(16) . . . .
C12 C7 C8 C9 0.7(2) . . . .
P1 C7 C8 C9 173.58(13) . . . .
C7 C8 C9 C10 -0.7(3) . . . .
C8 C9 C10 C11 0.5(3) . . . .
C8 C9 C10 C13 -179.00(17) . . . .
C9 C10 C11 C12 -0.2(3) . . . .
C13 C10 C11 C12 179.27(17) . . . .
C10 C11 C12 C7 0.2(3) . . . .
C8 C7 C12 C11 -0.4(2) . . . .
P1 C7 C12 C11 -173.57(12) . . . .
O1 P1 C14 C19 15.54(15) . . . .
C7 P1 C14 C19 139.21(13) . . . .
C21 P1 C14 C19 -103.08(14) . . . .
O1 P1 C14 C15 -166.02(13) . . . .
C7 P1 C14 C15 -42.34(15) . . . .
C21 P1 C14 C15 75.37(15) . . . .
C19 C14 C15 C16 0.3(2) . . . .
P1 C14 C15 C16 -178.16(13) . . . .
C14 C15 C16 C17 -0.7(3) . . . .
C15 C16 C17 C18 0.6(3) . . . .
C15 C16 C17 C20 -178.11(16) . . . .
C16 C17 C18 C19 -0.2(2) . . . .
C20 C17 C18 C19 178.56(16) . . . .
C17 C18 C19 C14 -0.2(2) . . . .
C15 C14 C19 C18 0.2(2) . . . .
P1 C14 C19 C18 178.64(12) . . . .
O1 P1 C21 C26 -159.34(13) . . . .
C14 P1 C21 C26 -38.45(15) . . . .
C7 P1 C21 C26 78.94(14) . . . .
O1 P1 C21 C22 19.62(14) . . . .
C14 P1 C21 C22 140.50(12) . . . .
C7 P1 C21 C22 -102.11(13) . . . .
C26 C21 C22 C23 -1.3(2) . . . .
P1 C21 C22 C23 179.74(12) . . . .
C21 C22 C23 C24 -0.5(2) . . . .
C22 C23 C24 C25 2.2(3) . . . .
C22 C23 C24 C27 -176.94(18) . . . .
C23 C24 C25 C26 -2.1(3) . . . .
C27 C24 C25 C26 177.03(18) . . . .
C24 C25 C26 C21 0.3(3) . . . .
C22 C21 C26 C25 1.4(2) . . . .
P1 C21 C26 C25 -179.69(12) . . . .
