#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:01:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179910 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/06/7020678.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_7020678
loop_
_publ_author_name
'Vacher, Antoine'
'Barrière, Frédéric'
'Camerel, Franck'
'Bergamini, Jean-François'
'Roisnel, Thierry'
'Lorcy, Dominique'
_publ_section_title
;
 Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes:
 syntheses, crystal structures, and influence of the ancillary ligands on
 their electronic properties.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              383
_journal_page_last               394
_journal_paper_doi               10.1039/c2dt31686b
_journal_volume                  42
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H48 P2 Pt S8, 2(C2 H3 N)'
_chemical_formula_sum            'C62 H54 N2 P2 Pt S8'
_chemical_formula_weight         1340.58
_chemical_name_systematic
;
?
;
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2011-07-08T08:26:26-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.405(4)
_cell_angle_beta                 102.101(4)
_cell_angle_gamma                105.756(5)
_cell_formula_units_Z            1
_cell_length_a                   9.2106(9)
_cell_length_b                   11.4614(9)
_cell_length_c                   15.8523(13)
_cell_measurement_reflns_used    9840
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.4
_cell_measurement_wavelength     0.71073
_cell_volume                     1498.8(2)
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_collection       'Bruker SAINT (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
WinGX publication routines (Farrugia, 1999),
CRYSCAL (T. Roisnel, local program)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22108
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    2.713
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.057
_refine_diff_density_min         -0.71
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6734
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0375P)²+0.6183P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0749
_reflns_number_gt                6454
_reflns_number_total             6734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31686b.txt
_cod_data_source_block           complex4
_cod_database_code               7020678
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
P1 P 0.00216(9) -0.19698(7) 0.01000(5) 0.01795(16) Uani 1 1 d .
Pt1 Pt 0 0 0 0.01805(6) Uani 1 2 d S
C21 C -0.0834(4) -0.2606(3) 0.0914(2) 0.0211(6) Uani 1 1 d .
C23 C -0.0155(4) -0.1943(3) 0.1833(2) 0.0291(7) Uani 1 1 d .
H23 H 0.072 -0.1176 0.2026 0.035 Uiso 1 1 calc R
C24 C -0.0767(5) -0.2412(4) 0.2466(3) 0.0353(8) Uani 1 1 d .
H24 H -0.0297 -0.1964 0.3094 0.042 Uiso 1 1 calc R
C25 C -0.2045(5) -0.3517(4) 0.2197(3) 0.0374(9) Uani 1 1 d .
H25 H -0.2459 -0.382 0.2636 0.045 Uiso 1 1 calc R
C26 C -0.2724(4) -0.4182(4) 0.1283(3) 0.0363(9) Uani 1 1 d .
H26 H -0.3599 -0.4948 0.1092 0.044 Uiso 1 1 calc R
C27 C -0.2108(4) -0.3716(3) 0.0644(2) 0.0281(7) Uani 1 1 d .
H27 H -0.2572 -0.417 0.0017 0.034 Uiso 1 1 calc R
C28 C 0.2035(4) -0.1997(3) 0.0419(2) 0.0204(6) Uani 1 1 d .
C29 C 0.2350(4) -0.3048(3) 0.0611(2) 0.0249(7) Uani 1 1 d .
H29 H 0.1507 -0.3781 0.0558 0.03 Uiso 1 1 calc R
C30 C 0.3906(4) -0.3020(3) 0.0880(2) 0.0283(7) Uani 1 1 d .
H30 H 0.4117 -0.3739 0.1005 0.034 Uiso 1 1 calc R
C31 C 0.5133(4) -0.1960(3) 0.0965(2) 0.0284(7) Uani 1 1 d .
H31 H 0.6188 -0.195 0.1144 0.034 Uiso 1 1 calc R
C32 C 0.4836(4) -0.0902(3) 0.0790(2) 0.0284(7) Uani 1 1 d .
H32 H 0.5686 -0.0166 0.0855 0.034 Uiso 1 1 calc R
C33 C 0.3290(4) -0.0924(3) 0.0519(2) 0.0259(7) Uani 1 1 d .
H33 H 0.3088 -0.0198 0.04 0.031 Uiso 1 1 calc R
C34 C -0.1081(4) -0.3199(3) -0.0981(2) 0.0220(6) Uani 1 1 d .
C35 C -0.0600(4) -0.4199(3) -0.1362(2) 0.0272(7) Uani 1 1 d .
H35 H 0.0382 -0.4249 -0.1068 0.033 Uiso 1 1 calc R
C36 C -0.1555(5) -0.5125(3) -0.2171(2) 0.0360(9) Uani 1 1 d .
H36 H -0.122 -0.5802 -0.2433 0.043 Uiso 1 1 calc R
C37 C -0.2992(5) -0.5062(4) -0.2595(3) 0.0411(9) Uani 1 1 d .
H37 H -0.3653 -0.5706 -0.314 0.049 Uiso 1 1 calc R
C38 C -0.3473(5) -0.4065(4) -0.2229(3) 0.0449(10) Uani 1 1 d .
H38 H -0.4456 -0.4022 -0.2528 0.054 Uiso 1 1 calc R
C39 C -0.2522(4) -0.3129(4) -0.1425(2) 0.0350(8) Uani 1 1 d .
H39 H -0.285 -0.2441 -0.1178 0.042 Uiso 1 1 calc R
S1 S -0.32174(13) 0.19621(11) 0.55796(7) 0.0441(2) Uani 1 1 d .
S2 S -0.20315(13) -0.01796(12) 0.51611(7) 0.0458(3) Uani 1 1 d .
S3 S -0.26703(14) 0.25958(10) 0.37373(7) 0.0432(2) Uani 1 1 d .
S4 S -0.13109(13) 0.05306(10) 0.33842(6) 0.0392(2) Uani 1 1 d .
C1 C -0.4295(6) 0.1220(5) 0.6938(3) 0.0516(11) Uani 1 1 d .
H1A H -0.4521 0.0529 0.7209 0.077 Uiso 1 1 calc R
H1B H -0.5283 0.1338 0.6666 0.077 Uiso 1 1 calc R
H1C H -0.3592 0.201 0.7408 0.077 Uiso 1 1 calc R
C2 C -0.3507(5) 0.0886(4) 0.6214(2) 0.0419(10) Uani 1 1 d .
C3 C -0.2980(5) -0.0081(4) 0.6024(3) 0.0421(10) Uani 1 1 d .
C4 C -0.3062(6) -0.1130(5) 0.6464(3) 0.0540(12) Uani 1 1 d .
H4A H -0.3525 -0.0969 0.6964 0.081 Uiso 1 1 calc R
H4B H -0.1997 -0.1145 0.6699 0.081 Uiso 1 1 calc R
H4C H -0.3717 -0.1952 0.6015 0.081 Uiso 1 1 calc R
C5 C -0.2447(5) 0.1085(4) 0.4832(2) 0.0390(9) Uani 1 1 d .
C6 C -0.2176(5) 0.1368(4) 0.4094(2) 0.0380(9) Uani 1 1 d .
C7 C -0.2740(6) 0.2876(4) 0.2041(3) 0.0466(11) Uani 1 1 d .
H7A H -0.2457 0.2582 0.1487 0.07 Uiso 1 1 calc R
H7B H -0.2166 0.379 0.2329 0.07 Uiso 1 1 calc R
H7C H -0.3877 0.2724 0.1889 0.07 Uiso 1 1 calc R
C8 C -0.2314(4) 0.2163(3) 0.2681(2) 0.0307(8) Uani 1 1 d .
C9 C -0.1668(4) 0.1241(3) 0.2522(2) 0.0260(7) Uani 1 1 d .
C10 C -0.1195(4) 0.0809(3) 0.1742(2) 0.0227(7) Uani 1 1 d .
C11 C -0.0744(4) 0.0442(3) 0.1091(2) 0.0204(6) Uani 1 1 d .
C101 C 0.8224(10) 0.5887(7) 0.5616(4) 0.109(3) Uani 1 1 d .
H10A H 0.8391 0.507 0.5579 0.163 Uiso 1 1 calc R
H10B H 0.7714 0.6084 0.6089 0.163 Uiso 1 1 calc R
H10C H 0.9242 0.656 0.5764 0.163 Uiso 1 1 calc R
C102 C 0.7274(9) 0.5812(6) 0.4794(4) 0.096(2) Uani 1 1 d .
N103 N 0.6545(13) 0.5740(9) 0.4118(6) 0.218(6) Uani 1 1 d .
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 0 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
C34 P1 C28 108.87(14) . .
C34 P1 C21 103.16(15) . .
C28 P1 C21 102.94(14) . .
C34 P1 Pt1 110.45(10) . .
C28 P1 Pt1 111.24(10) . .
C21 P1 Pt1 119.44(10) . .
C11 Pt1 C11 180 . 2
C11 Pt1 P1 95.01(8) . .
C11 Pt1 P1 84.99(8) 2 .
C11 Pt1 P1 84.99(8) . 2
C11 Pt1 P1 95.01(8) 2 2
P1 Pt1 P1 180 . 2
C27 C21 C23 119.5(3) . .
C27 C21 P1 122.3(3) . .
C23 C21 P1 118.2(2) . .
C21 C23 C24 119.5(3) . .
C21 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C25 C24 C23 121.0(4) . .
C25 C24 H24 119.5 . .
C23 C24 H24 119.5 . .
C24 C25 C26 119.7(3) . .
C24 C25 H25 120.1 . .
C26 C25 H25 120.1 . .
C25 C26 C27 119.4(4) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C21 C27 C26 120.9(3) . .
C21 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C33 C28 C29 119.0(3) . .
C33 C28 P1 119.4(2) . .
C29 C28 P1 121.5(2) . .
C30 C29 C28 119.9(3) . .
C30 C29 H29 120 . .
C28 C29 H29 120 . .
C31 C30 C29 120.4(3) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 120.2(3) . .
C30 C31 H31 119.9 . .
C32 C31 H31 119.9 . .
C31 C32 C33 119.8(3) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C28 C33 C32 120.7(3) . .
C28 C33 H33 119.7 . .
C32 C33 H33 119.7 . .
C35 C34 C39 119.4(3) . .
C35 C34 P1 124.2(2) . .
C39 C34 P1 116.3(2) . .
C36 C35 C34 120.1(3) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C37 C36 C35 120.0(3) . .
C37 C36 H36 120 . .
C35 C36 H36 120 . .
C36 C37 C38 120.3(3) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C37 C38 C39 120.2(4) . .
C37 C38 H38 119.9 . .
C39 C38 H38 119.9 . .
C38 C39 C34 120.0(3) . .
C38 C39 H39 120 . .
C34 C39 H39 120 . .
C5 S1 C2 95.5(2) . .
C5 S2 C3 95.4(2) . .
C8 S3 C6 95.07(17) . .
C9 S4 C6 95.37(17) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C1 128.0(4) . .
C3 C2 S1 117.3(3) . .
C1 C2 S1 114.7(3) . .
C2 C3 C4 128.1(4) . .
C2 C3 S2 117.3(3) . .
C4 C3 S2 114.6(3) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C6 C5 S2 123.2(3) . .
C6 C5 S1 123.3(3) . .
S2 C5 S1 113.5(2) . .
C5 C6 S4 122.8(3) . .
C5 C6 S3 123.2(3) . .
S4 C6 S3 114.1(2) . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 C7 125.9(3) . .
C9 C8 S3 117.7(3) . .
C7 C8 S3 116.4(3) . .
C8 C9 C10 126.7(3) . .
C8 C9 S4 116.8(3) . .
C10 C9 S4 116.5(2) . .
C11 C10 C9 177.9(3) . .
C10 C11 Pt1 174.4(3) . .
C102 C101 H10A 109.5 . .
C102 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C102 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
N103 C102 C101 177.5(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C34 1.824(3) .
P1 C28 1.828(3) .
P1 C21 1.835(3) .
P1 Pt1 2.3047(8) .
Pt1 C11 2.000(3) .
Pt1 C11 2.000(3) 2
Pt1 P1 2.3047(8) 2
C21 C27 1.380(5) .
C21 C23 1.392(5) .
C23 C24 1.392(5) .
C23 H23 0.95 .
C24 C25 1.378(6) .
C24 H24 0.95 .
C25 C26 1.386(6) .
C25 H25 0.95 .
C26 C27 1.400(5) .
C26 H26 0.95 .
C27 H27 0.95 .
C28 C33 1.391(4) .
C28 C29 1.397(4) .
C29 C30 1.396(5) .
C29 H29 0.95 .
C30 C31 1.374(5) .
C30 H30 0.95 .
C31 C32 1.388(5) .
C31 H31 0.95 .
C32 C33 1.390(5) .
C32 H32 0.95 .
C33 H33 0.95 .
C34 C35 1.394(4) .
C34 C39 1.399(5) .
C35 C36 1.391(5) .
C35 H35 0.95 .
C36 C37 1.382(5) .
C36 H36 0.95 .
C37 C38 1.383(5) .
C37 H37 0.95 .
C38 C39 1.389(5) .
C38 H38 0.95 .
C39 H39 0.95 .
S1 C5 1.762(4) .
S1 C2 1.764(4) .
S2 C5 1.757(4) .
S2 C3 1.769(4) .
S3 C8 1.759(4) .
S3 C6 1.765(4) .
S4 C9 1.765(3) .
S4 C6 1.765(4) .
C1 C2 1.512(6) .
C1 H1A 0.98 .
C1 H1B 0.98 .
C1 H1C 0.98 .
C2 C3 1.324(6) .
C3 C4 1.516(6) .
C4 H4A 0.98 .
C4 H4B 0.98 .
C4 H4C 0.98 .
C5 C6 1.338(5) .
C7 C8 1.497(5) .
C7 H7A 0.98 .
C7 H7B 0.98 .
C7 H7C 0.98 .
C8 C9 1.347(5) .
C9 C10 1.422(5) .
C10 C11 1.219(4) .
C101 C102 1.378(8) .
C101 H10A 0.98 .
C101 H10B 0.98 .
C101 H10C 0.98 .
C102 N103 1.111(9) .
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_4
C34 P1 Pt1 C11 128.18(14) .
C28 P1 Pt1 C11 -110.80(14) .
C21 P1 Pt1 C11 8.88(15) .
C34 P1 Pt1 C11 -51.82(14) 2
C28 P1 Pt1 C11 69.20(14) 2
C21 P1 Pt1 C11 -171.13(15) 2
C34 P1 C21 C27 -5.0(3) .
C28 P1 C21 C27 -118.2(3) .
Pt1 P1 C21 C27 118.0(2) .
C34 P1 C21 C23 174.4(2) .
C28 P1 C21 C23 61.2(3) .
Pt1 P1 C21 C23 -62.6(3) .
C27 C21 C23 C24 0.2(5) .
P1 C21 C23 C24 -179.2(3) .
C21 C23 C24 C25 -0.6(5) .
C23 C24 C25 C26 0.8(5) .
C24 C25 C26 C27 -0.5(5) .
C23 C21 C27 C26 0.0(5) .
P1 C21 C27 C26 179.4(2) .
C25 C26 C27 C21 0.1(5) .
C34 P1 C28 C33 118.7(3) .
C21 P1 C28 C33 -132.3(3) .
Pt1 P1 C28 C33 -3.2(3) .
C34 P1 C28 C29 -64.7(3) .
C21 P1 C28 C29 44.3(3) .
Pt1 P1 C28 C29 173.4(2) .
C33 C28 C29 C30 -1.3(5) .
P1 C28 C29 C30 -177.9(2) .
C28 C29 C30 C31 0.5(5) .
C29 C30 C31 C32 0.5(5) .
C30 C31 C32 C33 -0.7(5) .
C29 C28 C33 C32 1.2(5) .
P1 C28 C33 C32 177.8(3) .
C31 C32 C33 C28 -0.2(5) .
C28 P1 C34 C35 16.1(3) .
C21 P1 C34 C35 -92.8(3) .
Pt1 P1 C34 C35 138.5(3) .
C28 P1 C34 C39 -166.1(3) .
C21 P1 C34 C39 85.1(3) .
Pt1 P1 C34 C39 -43.7(3) .
C39 C34 C35 C36 -0.7(5) .
P1 C34 C35 C36 177.1(3) .
C34 C35 C36 C37 -0.7(6) .
C35 C36 C37 C38 1.4(6) .
C36 C37 C38 C39 -0.8(7) .
C37 C38 C39 C34 -0.6(7) .
C35 C34 C39 C38 1.3(6) .
P1 C34 C39 C38 -176.7(3) .
C5 S1 C2 C3 5.9(4) .
C5 S1 C2 C1 -176.0(3) .
C1 C2 C3 C4 1.7(7) .
S1 C2 C3 C4 179.6(3) .
C1 C2 C3 S2 -177.4(3) .
S1 C2 C3 S2 0.4(5) .
C5 S2 C3 C2 -6.5(4) .
C5 S2 C3 C4 174.3(3) .
C3 S2 C5 C6 -171.0(4) .
C3 S2 C5 S1 10.1(3) .
C2 S1 C5 C6 171.2(4) .
C2 S1 C5 S2 -10.0(3) .
S2 C5 C6 S4 -2.0(6) .
S1 C5 C6 S4 176.7(2) .
S2 C5 C6 S3 177.2(2) .
S1 C5 C6 S3 -4.1(6) .
C9 S4 C6 C5 170.5(4) .
C9 S4 C6 S3 -8.8(3) .
C8 S3 C6 C5 -169.7(4) .
C8 S3 C6 S4 9.6(3) .
C6 S3 C8 C9 -7.1(3) .
C6 S3 C8 C7 173.8(3) .
C7 C8 C9 C10 3.3(6) .
S3 C8 C9 C10 -175.7(3) .
C7 C8 C9 S4 -178.9(3) .
S3 C8 C9 S4 2.1(4) .
C6 S4 C9 C8 4.1(3) .
C6 S4 C9 C10 -177.9(3) .
