#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/29/2212931.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2212931
loop_
_publ_author_name
'Wang, Yan-Ling'
'Wang, Yong-Jin'
'Yao, Jun'
'Zhao, Xiu-Tai'
'Wang, Rui-He'
_publ_section_title
;
 Bis(tetraphenylphosphonium)
 tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV) at 293K
;
_journal_coeditor_code           HY2045
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1147
_journal_page_last               m1148
_journal_paper_doi               10.1107/S1600536807012469
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C24 H20 P)2 [Sn (C3 S5)3]'
_chemical_formula_moiety         '2C24 H20 P + , C9 S15 Sn 2-'
_chemical_formula_sum            'C57 H40 P2 S15 Sn'
_chemical_formula_weight         1386.42
_chemical_name_systematic
;
Bis(tetraphenylphosphonium)
tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 123.532(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.7352(6)
_cell_length_b                   14.7677(4)
_cell_length_c                   19.6210(4)
_cell_measurement_reflns_used    8898
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.52
_cell_volume                     5974.4(3)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40822
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.044
_exptl_absorpt_correction_T_max  0.8947
_exptl_absorpt_correction_T_min  0.7063
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            purple--red
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.415
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         6936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0318P)²+4.1278P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                6060
_reflns_number_total             6936
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2045.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212931
_cod_database_fobs_code          2212931
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 0.36637(9) -0.08672(12) 0.08963(11) 0.0428(4) Uani d . 1
C C2 0.39171(8) 0.08716(11) 0.11338(10) 0.0361(4) Uani d . 1
C C3 0.44805(8) 0.04790(11) 0.13238(10) 0.0366(4) Uani d . 1
C C4 0.49057(9) 0.43890(12) 0.27602(11) 0.0411(4) Uani d . 1
C C5 0.5000 0.61163(19) 0.2500 0.0594(8) Uani d S 1
S S1 0.33102(3) -0.18687(4) 0.06668(4) 0.06359(16) Uani d . 1
S S2 0.32684(2) 0.01314(3) 0.08100(3) 0.04214(10) Uani d . 1
S S3 0.44663(2) -0.06984(3) 0.12443(3) 0.04594(11) Uani d . 1
S S4 0.38207(2) 0.20063(3) 0.12721(3) 0.04336(11) Uani d . 1
S S5 0.52109(2) 0.10405(3) 0.17151(3) 0.04444(11) Uani d . 1
S S6 0.47533(3) 0.34592(3) 0.31770(3) 0.04668(11) Uani d . 1
S S7 0.48042(3) 0.54604(4) 0.30613(4) 0.05676(14) Uani d . 1
S S8 0.5000 0.72282(6) 0.2500 0.0977(4) Uani d S 1
Sn Sn1 0.5000 0.221483(10) 0.2500 0.03296(5) Uani d S 1
C C17 0.87001(11) 0.45376(15) 0.40971(12) 0.0556(5) Uani d . 1
H H17 0.8679 0.4769 0.4523 0.067 Uiso calc R 1
C C18 0.72469(9) 0.61019(13) 0.20875(11) 0.0435(4) Uani d . 1
C C19 0.66022(10) 0.58471(16) 0.16670(13) 0.0549(5) Uani d . 1
H H19 0.6449 0.5508 0.1926 0.066 Uiso calc R 1
C C20 0.61854(12) 0.61020(18) 0.08539(14) 0.0655(6) Uani d . 1
H H20 0.5751 0.5932 0.0568 0.079 Uiso calc R 1
C C21 0.64094(13) 0.66017(17) 0.04721(13) 0.0668(7) Uani d . 1
H H21 0.6125 0.6779 -0.0069 0.080 Uiso calc R 1
C C22 0.70506(13) 0.68421(18) 0.08817(14) 0.0682(7) Uani d . 1
H H22 0.7201 0.7171 0.0614 0.082 Uiso calc R 1
C C23 0.74761(12) 0.65963(16) 0.16941(13) 0.0596(6) Uani d . 1
H H23 0.7911 0.6761 0.1973 0.071 Uiso calc R 1
C C24 0.73080(9) 0.54458(12) 0.35312(10) 0.0386(4) Uani d . 1
C C25 0.71628(11) 0.45288(14) 0.34807(14) 0.0560(5) Uani d . 1
H H25 0.7323 0.4121 0.3273 0.067 Uiso calc R 1
C C26 0.67789(12) 0.42305(16) 0.37420(16) 0.0677(7) Uani d . 1
H H26 0.6683 0.3617 0.3715 0.081 Uiso calc R 1
C C27 0.65391(11) 0.48258(18) 0.40383(14) 0.0634(6) Uani d . 1
H H27 0.6281 0.4615 0.4214 0.076 Uiso calc R 1
C C28 0.66709(11) 0.57297(17) 0.40822(14) 0.0589(5) Uani d . 1
H H28 0.6501 0.6132 0.4281 0.071 Uiso calc R 1
C C29 0.70608(10) 0.60430(14) 0.38275(12) 0.0471(4) Uani d . 1
H H29 0.7154 0.6657 0.3858 0.057 Uiso calc R 1
P P1 0.77855(2) 0.58323(3) 0.31547(3) 0.03753(10) Uani d . 1
C C6 0.82272(9) 0.68477(12) 0.36579(11) 0.0402(4) Uani d . 1
C C7 0.78909(11) 0.76564(14) 0.34992(15) 0.0565(5) Uani d . 1
H H7 0.7444 0.7672 0.3128 0.068 Uiso calc R 1
C C8 0.82229(12) 0.84360(15) 0.38947(16) 0.0694(7) Uani d . 1
H H8 0.7997 0.8975 0.3799 0.083 Uiso calc R 1
C C9 0.88839(13) 0.84229(17) 0.44281(16) 0.0698(7) Uani d . 1
H H9 0.9105 0.8952 0.4691 0.084 Uiso calc R 1
C C10 0.92177(12) 0.76317(17) 0.45740(16) 0.0687(7) Uani d . 1
H H10 0.9667 0.7628 0.4933 0.082 Uiso calc R 1
C C11 0.88956(10) 0.68385(15) 0.41949(13) 0.0519(5) Uani d . 1
H H11 0.9126 0.6302 0.4299 0.062 Uiso calc R 1
C C12 0.83270(9) 0.49259(13) 0.33190(11) 0.0412(4) Uani d . 1
C C13 0.83656(9) 0.45780(14) 0.26932(11) 0.0459(4) Uani d . 1
H H13 0.8123 0.4835 0.2174 0.055 Uiso calc R 1
C C14 0.87663(11) 0.38466(15) 0.28414(13) 0.0549(5) Uani d . 1
H H14 0.8790 0.3610 0.2420 0.066 Uiso calc R 1
C C15 0.91276(11) 0.34696(15) 0.36048(14) 0.0564(5) Uani d . 1
H H15 0.9395 0.2977 0.3698 0.068 Uiso calc R 1
C C16 0.90980(12) 0.38145(16) 0.42344(14) 0.0622(6) Uani d . 1
H H16 0.9347 0.3559 0.4753 0.075 Uiso calc R 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
S1 C1 S3 . . 123.97(12)
S1 C1 S2 . . 123.61(12)
S3 C1 S2 . . 112.42(10)
C3 C2 S4 . . 125.34(13)
C3 C2 S2 . . 115.48(13)
S4 C2 S2 . . 118.93(10)
C2 C3 S5 . . 125.28(13)
C2 C3 S3 . . 115.74(13)
S5 C3 S3 . . 118.73(10)
C4 C4 S6 2_655 . 128.01(6)
C4 C4 S7 2_655 . 115.62(7)
S6 C4 S7 . . 116.37(11)
S8 C5 S7 . 2_655 124.16(8)
S8 C5 S7 . . 124.16(8)
S7 C5 S7 2_655 . 111.67(16)
C1 S2 C2 . . 98.19(9)
C1 S3 C3 . . 98.13(9)
C2 S4 Sn1 . . 94.54(6)
C3 S5 Sn1 . . 94.68(6)
C4 S6 Sn1 . . 98.53(6)
C5 S7 C4 . . 98.54(10)
S6 Sn1 S6 2_655 . 86.92(2)
S6 Sn1 S5 2_655 . 89.297(16)
S6 Sn1 S5 . . 175.383(16)
S6 Sn1 S5 2_655 2_655 175.383(16)
S6 Sn1 S5 . 2_655 89.297(16)
S5 Sn1 S5 . 2_655 94.60(2)
S6 Sn1 S4 2_655 . 94.169(17)
S6 Sn1 S4 . . 95.783(16)
S5 Sn1 S4 . . 81.844(15)
S5 Sn1 S4 2_655 . 88.843(16)
S6 Sn1 S4 2_655 2_655 95.783(16)
S6 Sn1 S4 . 2_655 94.169(17)
S5 Sn1 S4 . 2_655 88.843(16)
S5 Sn1 S4 2_655 2_655 81.844(15)
S4 Sn1 S4 . 2_655 166.27(2)
C16 C17 C12 . . 120.13(19)
C16 C17 H17 . . 119.9
C12 C17 H17 . . 119.9
C19 C18 C23 . . 120.07(18)
C19 C18 P1 . . 120.19(15)
C23 C18 P1 . . 119.70(16)
C18 C19 C20 . . 119.4(2)
C18 C19 H19 . . 120.3
C20 C19 H19 . . 120.3
C21 C20 C19 . . 120.4(2)
C21 C20 H20 . . 119.8
C19 C20 H20 . . 119.8
C20 C21 C22 . . 120.4(2)
C20 C21 H21 . . 119.8
C22 C21 H21 . . 119.8
C21 C22 C23 . . 120.2(2)
C21 C22 H22 . . 119.9
C23 C22 H22 . . 119.9
C22 C23 C18 . . 119.5(2)
C22 C23 H23 . . 120.3
C18 C23 H23 . . 120.3
C29 C24 C25 . . 119.87(18)
C29 C24 P1 . . 121.20(14)
C25 C24 P1 . . 118.85(16)
C26 C25 C24 . . 119.3(2)
C26 C25 H25 . . 120.4
C24 C25 H25 . . 120.4
C27 C26 C25 . . 120.4(2)
C27 C26 H26 . . 119.8
C25 C26 H26 . . 119.8
C26 C27 C28 . . 121.0(2)
C26 C27 H27 . . 119.5
C28 C27 H27 . . 119.5
C27 C28 C29 . . 119.5(2)
C27 C28 H28 . . 120.3
C29 C28 H28 . . 120.3
C24 C29 C28 . . 119.95(19)
C24 C29 H29 . . 120.0
C28 C29 H29 . . 120.0
C12 P1 C6 . . 110.94(9)
C12 P1 C24 . . 106.52(9)
C6 P1 C24 . . 112.18(8)
C12 P1 C18 . . 111.97(9)
C6 P1 C18 . . 106.83(9)
C24 P1 C18 . . 108.45(9)
C11 C6 C7 . . 119.62(19)
C11 C6 P1 . . 121.20(15)
C7 C6 P1 . . 119.18(15)
C8 C7 C6 . . 119.7(2)
C8 C7 H7 . . 120.2
C6 C7 H7 . . 120.2
C9 C8 C7 . . 120.5(2)
C9 C8 H8 . . 119.8
C7 C8 H8 . . 119.8
C10 C9 C8 . . 120.0(2)
C10 C9 H9 . . 120.0
C8 C9 H9 . . 120.0
C9 C10 C11 . . 120.7(2)
C9 C10 H10 . . 119.6
C11 C10 H10 . . 119.6
C10 C11 C6 . . 119.5(2)
C10 C11 H11 . . 120.2
C6 C11 H11 . . 120.2
C13 C12 C17 . . 119.33(18)
C13 C12 P1 . . 121.96(14)
C17 C12 P1 . . 118.66(14)
C12 C13 C14 . . 119.76(18)
C12 C13 H13 . . 120.1
C14 C13 H13 . . 120.1
C15 C14 C13 . . 120.42(19)
C15 C14 H14 . . 119.8
C13 C14 H14 . . 119.8
C14 C15 C16 . . 120.4(2)
C14 C15 H15 . . 119.8
C16 C15 H15 . . 119.8
C17 C16 C15 . . 120.0(2)
C17 C16 H16 . . 120.0
C15 C16 H16 . . 120.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 S1 . 1.6491(19)
C1 S3 . 1.724(2)
C1 S2 . 1.725(2)
C2 C3 . 1.358(2)
C2 S4 . 1.7348(17)
C2 S2 . 1.7455(17)
C3 S5 . 1.7346(18)
C3 S3 . 1.7443(17)
C4 C4 2_655 1.337(4)
C4 S6 . 1.7427(19)
C4 S7 . 1.7548(18)
C5 S8 . 1.642(3)
C5 S7 2_655 1.7249(17)
C5 S7 . 1.7249(17)
S4 Sn1 . 2.5776(4)
S5 Sn1 . 2.5572(5)
S6 Sn1 . 2.5318(5)
Sn1 S6 2_655 2.5318(5)
Sn1 S5 2_655 2.5572(5)
Sn1 S4 2_655 2.5776(4)
C17 C16 . 1.374(3)
C17 C12 . 1.398(3)
C17 H17 . 0.9300
C18 C19 . 1.383(3)
C18 C23 . 1.391(3)
C18 P1 . 1.7989(18)
C19 C20 . 1.390(3)
C19 H19 . 0.9300
C20 C21 . 1.368(4)
C20 H20 . 0.9300
C21 C22 . 1.371(4)
C21 H21 . 0.9300
C22 C23 . 1.388(3)
C22 H22 . 0.9300
C23 H23 . 0.9300
C24 C29 . 1.372(3)
C24 C25 . 1.391(3)
C24 P1 . 1.7975(18)
C25 C26 . 1.377(3)
C25 H25 . 0.9300
C26 C27 . 1.358(4)
C26 H26 . 0.9300
C27 C28 . 1.365(3)
C27 H27 . 0.9300
C28 C29 . 1.388(3)
C28 H28 . 0.9300
C29 H29 . 0.9300
P1 C12 . 1.7924(19)
P1 C6 . 1.7959(19)
C6 C11 . 1.385(3)
C6 C7 . 1.389(3)
C7 C8 . 1.378(3)
C7 H7 . 0.9300
C8 C9 . 1.371(3)
C8 H8 . 0.9300
C9 C10 . 1.367(4)
C9 H9 . 0.9300
C10 C11 . 1.380(3)
C10 H10 . 0.9300
C11 H11 . 0.9300
C12 C13 . 1.382(3)
C13 C14 . 1.384(3)
C13 H13 . 0.9300
C14 C15 . 1.369(3)
C14 H14 . 0.9300
C15 C16 . 1.375(3)
C15 H15 . 0.9300
C16 H16 . 0.9300
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C26 H26 S4 2_655 0.93 2.69 3.598(2) 165 y
C29 H29 S1 2_665 0.93 2.85 3.513(2) 129 y
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
S4 C2 C3 S5 . . -2.0(2)
S2 C2 C3 S5 . . -176.16(10)
S4 C2 C3 S3 . . 172.12(10)
S2 C2 C3 S3 . . -2.05(18)
S1 C1 S2 C2 . . -179.44(12)
S3 C1 S2 C2 . . 0.30(11)
C3 C2 S2 C1 . . 1.06(15)
S4 C2 S2 C1 . . -173.51(11)
S1 C1 S3 C3 . . 178.55(12)
S2 C1 S3 C3 . . -1.19(12)
C2 C3 S3 C1 . . 1.98(15)
S5 C3 S3 C1 . . 176.50(11)
C3 C2 S4 Sn1 . . -28.96(16)
S2 C2 S4 Sn1 . . 145.02(9)
C2 C3 S5 Sn1 . . 31.82(16)
S3 C3 S5 Sn1 . . -142.13(9)
C4 C4 S6 Sn1 2_655 . 0.1(2)
S7 C4 S6 Sn1 . . -179.54(9)
S8 C5 S7 C4 . . 179.81(6)
S7 C5 S7 C4 2_655 . -0.19(6)
C4 C4 S7 C5 2_655 . 0.7(2)
S6 C4 S7 C5 . . -179.65(9)
C4 S6 Sn1 S6 . 2_655 -0.03(6)
C4 S6 Sn1 S4 . . -93.91(6)
C4 S6 Sn1 S4 . 2_655 95.55(6)
C3 S5 Sn1 S6 . 2_655 -127.73(6)
C3 S5 Sn1 S5 . 2_655 54.75(6)
C3 S5 Sn1 S4 . . -33.42(6)
C3 S5 Sn1 S4 . 2_655 136.47(6)
C2 S4 Sn1 S6 . 2_655 121.50(6)
C2 S4 Sn1 S6 . . -151.18(6)
C2 S4 Sn1 S5 . . 32.81(6)
C2 S4 Sn1 S5 . 2_655 -62.01(6)
C2 S4 Sn1 S4 . 2_655 -14.91(6)
C23 C18 C19 C20 . . -1.0(3)
P1 C18 C19 C20 . . 176.67(17)
C18 C19 C20 C21 . . -0.1(4)
C19 C20 C21 C22 . . 1.3(4)
C20 C21 C22 C23 . . -1.4(4)
C21 C22 C23 C18 . . 0.2(4)
C19 C18 C23 C22 . . 0.9(3)
P1 C18 C23 C22 . . -176.74(19)
C29 C24 C25 C26 . . -1.0(3)
P1 C24 C25 C26 . . -177.82(17)
C24 C25 C26 C27 . . 0.7(4)
C25 C26 C27 C28 . . 0.1(4)
C26 C27 C28 C29 . . -0.6(4)
C25 C24 C29 C28 . . 0.5(3)
P1 C24 C29 C28 . . 177.28(16)
C27 C28 C29 C24 . . 0.3(3)
C29 C24 P1 C12 . . 151.43(15)
C25 C24 P1 C12 . . -31.79(18)
C29 C24 P1 C6 . . 29.86(18)
C25 C24 P1 C6 . . -153.36(16)
C29 C24 P1 C18 . . -87.89(17)
C25 C24 P1 C18 . . 88.89(17)
C19 C18 P1 C12 . . 105.71(18)
C23 C18 P1 C12 . . -76.60(19)
C19 C18 P1 C6 . . -132.64(17)
C23 C18 P1 C6 . . 45.04(19)
C19 C18 P1 C24 . . -11.5(2)
C23 C18 P1 C24 . . 166.15(17)
C12 P1 C6 C11 . . -9.23(19)
C24 P1 C6 C11 . . 109.77(17)
C18 P1 C6 C11 . . -131.52(16)
C12 P1 C6 C7 . . 170.28(16)
C24 P1 C6 C7 . . -70.72(18)
C18 P1 C6 C7 . . 47.99(18)
C11 C6 C7 C8 . . -1.9(3)
P1 C6 C7 C8 . . 178.63(19)
C6 C7 C8 C9 . . 1.6(4)
C7 C8 C9 C10 . . -0.4(4)
C8 C9 C10 C11 . . -0.6(4)
C9 C10 C11 C6 . . 0.3(4)
C7 C6 C11 C10 . . 0.9(3)
P1 C6 C11 C10 . . -179.58(18)
C16 C17 C12 C13 . . -0.3(3)
C16 C17 C12 P1 . . 177.04(19)
C6 P1 C12 C13 . . -111.47(17)
C24 P1 C12 C13 . . 126.18(17)
C18 P1 C12 C13 . . 7.8(2)
C6 P1 C12 C17 . . 71.25(19)
C24 P1 C12 C17 . . -51.10(19)
C18 P1 C12 C17 . . -169.49(17)
C17 C12 C13 C14 . . 0.7(3)
P1 C12 C13 C14 . . -176.60(16)
C12 C13 C14 C15 . . -0.4(3)
C13 C14 C15 C16 . . -0.2(4)
C12 C17 C16 C15 . . -0.3(4)
C14 C15 C16 C17 . . 0.5(4)
