#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:03:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179437 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/34/4333461.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4333461
loop_
_publ_author_name
'Eid, Samar'
'Fourmigué, Marc'
'Roisnel, Thierry'
'Lorcy, Dominique'
_publ_section_title
;
 Influence of the Thiazole Backbone on the Structural, Redox, and Optical
 Properties of Dithiolene and Diselenolene Complexes
;
_journal_issue                   25
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10647
_journal_page_last               10654
_journal_paper_doi               10.1021/ic7013682
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C8 H6 N2 Ni1 S8, 2(P C24 H20)'
_chemical_formula_sum            'C56 H46 N2 Ni P2 S8'
_chemical_formula_weight         1124.08
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL-97
_cell_angle_alpha                97.647(9)
_cell_angle_beta                 102.055(8)
_cell_angle_gamma                103.035(9)
_cell_formula_units_Z            1
_cell_length_a                   6.8346(12)
_cell_length_b                   12.817(2)
_cell_length_c                   15.437(3)
_cell_measurement_reflns_used    5644
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.75
_cell_measurement_wavelength     0.71073
_cell_volume                     1265.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_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  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25813
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.819
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
[Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA] 
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.064
_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     313
_refine_ls_number_reflns         5696
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0292P)²+1.1237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                4844
_reflns_number_total             5696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7013682sup1.cif
_cod_data_source_block           es145
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4333461
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
Ni1 Ni 0.0000 0.0000 0.5000 0.01267(8) Uani 1 2 d S
S1 S -0.30528(7) -0.01139(3) 0.41308(3) 0.01528(10) Uani 1 1 d .
S2 S 0.06215(7) -0.12971(4) 0.40977(3) 0.01819(11) Uani 1 1 d .
S3 S -0.21491(7) -0.25015(4) 0.21936(3) 0.01769(10) Uani 1 1 d .
S4 S -0.59363(7) -0.25884(4) 0.07340(3) 0.01969(11) Uani 1 1 d .
C1 C -0.3110(3) -0.10912(14) 0.32287(12) 0.0145(4) Uani 1 1 d .
C2 C -0.1598(3) -0.16039(14) 0.32243(12) 0.0159(4) Uani 1 1 d .
N3 N -0.4686(2) -0.13897(12) 0.24256(10) 0.0151(3) Uani 1 1 d .
C3 C -0.6413(3) -0.09020(16) 0.22839(13) 0.0193(4) Uani 1 1 d .
H3A H -0.6327 -0.0398 0.2835 0.029 Uiso 0.50 1 calc PR
H3B H -0.7717 -0.1475 0.2134 0.029 Uiso 0.50 1 calc PR
H3C H -0.6366 -0.0502 0.1786 0.029 Uiso 0.50 1 calc PR
H3D H -0.7279 -0.1186 0.1669 0.029 Uiso 0.50 1 calc PR
H3E H -0.5890 -0.0108 0.2370 0.029 Uiso 0.50 1 calc PR
H3F H -0.7241 -0.1081 0.2717 0.029 Uiso 0.50 1 calc PR
C4 C -0.4415(3) -0.21159(14) 0.17811(12) 0.0154(4) Uani 1 1 d .
C101 C 0.7444(3) 0.21012(14) 0.21212(12) 0.0149(4) Uani 1 1 d .
C102 C 0.8944(3) 0.18432(15) 0.27665(13) 0.0187(4) Uani 1 1 d .
H102 H 0.9469 0.2292 0.3349 0.022 Uiso 1 1 calc R
C103 C 0.9664(3) 0.09360(15) 0.25591(14) 0.0207(4) Uani 1 1 d .
H103 H 1.0660 0.0754 0.3000 0.025 Uiso 1 1 calc R
C104 C 0.8919(3) 0.02989(15) 0.17041(14) 0.0211(4) Uani 1 1 d .
H104 H 0.9406 -0.0324 0.1559 0.025 Uiso 1 1 calc R
C105 C 0.7467(3) 0.05619(15) 0.10578(14) 0.0218(4) Uani 1 1 d .
H105 H 0.6981 0.0123 0.0471 0.026 Uiso 1 1 calc R
C106 C 0.6717(3) 0.14639(14) 0.12627(13) 0.0177(4) Uani 1 1 d .
H106 H 0.5718 0.1641 0.0819 0.021 Uiso 1 1 calc R
C111 C 0.4541(3) 0.34050(14) 0.15135(12) 0.0144(3) Uani 1 1 d .
C112 C 0.2773(3) 0.25309(15) 0.11543(13) 0.0181(4) Uani 1 1 d .
H112 H 0.2634 0.1883 0.1398 0.022 Uiso 1 1 calc R
C113 C 0.1234(3) 0.26105(16) 0.04470(13) 0.0207(4) Uani 1 1 d .
H113 H 0.0055 0.2010 0.0194 0.025 Uiso 1 1 calc R
C114 C 0.1408(3) 0.35708(16) 0.01048(13) 0.0205(4) Uani 1 1 d .
H114 H 0.0354 0.3623 -0.0385 0.025 Uiso 1 1 calc R
C115 C 0.3112(3) 0.44467(15) 0.04780(13) 0.0186(4) Uani 1 1 d .
H115 H 0.3204 0.5108 0.0255 0.022 Uiso 1 1 calc R
C116 C 0.4696(3) 0.43697(14) 0.11783(12) 0.0157(4) Uani 1 1 d .
H116 H 0.5875 0.4971 0.1426 0.019 Uiso 1 1 calc R
C121 C 0.5323(3) 0.31050(14) 0.33602(12) 0.0147(4) Uani 1 1 d .
C122 C 0.4322(3) 0.38882(15) 0.36314(13) 0.0182(4) Uani 1 1 d .
H122 H 0.4286 0.4487 0.3331 0.022 Uiso 1 1 calc R
C123 C 0.3391(3) 0.37809(16) 0.43389(13) 0.0206(4) Uani 1 1 d .
H123 H 0.2734 0.4316 0.4533 0.025 Uiso 1 1 calc R
C124 C 0.3408(3) 0.28982(16) 0.47690(13) 0.0221(4) Uani 1 1 d .
H124 H 0.2749 0.2826 0.5250 0.027 Uiso 1 1 calc R
C125 C 0.4385(3) 0.21208(16) 0.44967(13) 0.0220(4) Uani 1 1 d .
H125 H 0.4392 0.1516 0.4791 0.026 Uiso 1 1 calc R
C126 C 0.5351(3) 0.22244(14) 0.37966(13) 0.0178(4) Uani 1 1 d .
H126 H 0.6032 0.1695 0.3615 0.021 Uiso 1 1 calc R
C131 C 0.8649(3) 0.44581(14) 0.27447(12) 0.0146(4) Uani 1 1 d .
C132 C 0.9795(3) 0.47242(14) 0.21173(13) 0.0172(4) Uani 1 1 d .
H132 H 0.9444 0.4273 0.1538 0.021 Uiso 1 1 calc R
C133 C 1.1449(3) 0.56503(15) 0.23428(14) 0.0199(4) Uani 1 1 d .
H133 H 1.2214 0.5840 0.1914 0.024 Uiso 1 1 calc R
C134 C 1.1981(3) 0.62959(15) 0.31896(14) 0.0206(4) Uani 1 1 d .
H134 H 1.3113 0.6929 0.3342 0.025 Uiso 1 1 calc R
C135 C 1.0871(3) 0.60241(15) 0.38188(13) 0.0206(4) Uani 1 1 d .
H135 H 1.1258 0.6465 0.4404 0.025 Uiso 1 1 calc R
C136 C 0.9194(3) 0.51081(14) 0.35958(13) 0.0176(4) Uani 1 1 d .
H136 H 0.8423 0.4928 0.4025 0.021 Uiso 1 1 calc R
P101 P 0.64962(7) 0.32619(4) 0.24321(3) 0.01319(10) 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 0.0000 0.0000 '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'
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'
Ni Ni 0.3393 1.1124 '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
S1 Ni1 S1 180.000(1) . 2_556
S1 Ni1 S2 85.78(2) . 2_556
S1 Ni1 S2 94.22(2) 2_556 2_556
S1 Ni1 S2 94.22(2) . .
S1 Ni1 S2 85.78(2) 2_556 .
S2 Ni1 S2 180.0 2_556 .
C1 S1 Ni1 100.21(6) . .
C2 S2 Ni1 100.02(6) . .
C4 S3 C2 92.07(9) . .
C2 C1 N3 113.94(16) . .
C2 C1 S1 122.63(14) . .
N3 C1 S1 123.39(14) . .
C1 C2 S2 122.77(14) . .
C1 C2 S3 109.67(14) . .
S2 C2 S3 127.36(11) . .
C4 N3 C1 115.11(15) . .
C4 N3 C3 122.35(15) . .
C1 N3 C3 122.45(15) . .
N3 C3 H3A 109.5 . .
N3 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N3 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
N3 C3 H3D 109.5 . .
H3A C3 H3D 141.1 . .
H3B C3 H3D 56.3 . .
H3C C3 H3D 56.3 . .
N3 C3 H3E 109.5 . .
H3A C3 H3E 56.3 . .
H3B C3 H3E 141.1 . .
H3C C3 H3E 56.3 . .
H3D C3 H3E 109.5 . .
N3 C3 H3F 109.5 . .
H3A C3 H3F 56.3 . .
H3B C3 H3F 56.3 . .
H3C C3 H3F 141.1 . .
H3D C3 H3F 109.5 . .
H3E C3 H3F 109.5 . .
N3 C4 S4 126.93(14) . .
N3 C4 S3 109.15(13) . .
S4 C4 S3 123.92(11) . .
C106 C101 C102 119.93(17) . .
C106 C101 P101 121.30(14) . .
C102 C101 P101 118.77(14) . .
C103 C102 C101 120.34(18) . .
C103 C102 H102 119.8 . .
C101 C102 H102 119.8 . .
C104 C103 C102 119.39(18) . .
C104 C103 H103 120.3 . .
C102 C103 H103 120.3 . .
C103 C104 C105 120.55(18) . .
C103 C104 H104 119.7 . .
C105 C104 H104 119.7 . .
C104 C105 C106 120.48(18) . .
C104 C105 H105 119.8 . .
C106 C105 H105 119.8 . .
C101 C106 C105 119.28(18) . .
C101 C106 H106 120.4 . .
C105 C106 H106 120.4 . .
C116 C111 C112 119.66(17) . .
C116 C111 P101 121.87(14) . .
C112 C111 P101 118.41(13) . .
C113 C112 C111 120.10(17) . .
C113 C112 H112 119.9 . .
C111 C112 H112 119.9 . .
C112 C113 C114 120.05(18) . .
C112 C113 H113 120.0 . .
C114 C113 H113 120.0 . .
C115 C114 C113 119.97(18) . .
C115 C114 H114 120.0 . .
C113 C114 H114 120.0 . .
C114 C115 C116 120.58(17) . .
C114 C115 H115 119.7 . .
C116 C115 H115 119.7 . .
C115 C116 C111 119.58(17) . .
C115 C116 H116 120.2 . .
C111 C116 H116 120.2 . .
C126 C121 C122 119.99(17) . .
C126 C121 P101 121.76(14) . .
C122 C121 P101 118.24(13) . .
C123 C122 C121 119.38(17) . .
C123 C122 H122 120.3 . .
C121 C122 H122 120.3 . .
C122 C123 C124 120.55(18) . .
C122 C123 H123 119.7 . .
C124 C123 H123 119.7 . .
C125 C124 C123 120.02(18) . .
C125 C124 H124 120.0 . .
C123 C124 H124 120.0 . .
C126 C125 C124 120.14(17) . .
C126 C125 H125 119.9 . .
C124 C125 H125 119.9 . .
C125 C126 C121 119.91(17) . .
C125 C126 H126 120.0 . .
C121 C126 H126 120.0 . .
C136 C131 C132 119.85(17) . .
C136 C131 P101 121.17(14) . .
C132 C131 P101 118.98(14) . .
C133 C132 C131 119.83(17) . .
C133 C132 H132 120.1 . .
C131 C132 H132 120.1 . .
C134 C133 C132 120.09(18) . .
C134 C133 H133 120.0 . .
C132 C133 H133 120.0 . .
C133 C134 C135 120.24(17) . .
C133 C134 H134 119.9 . .
C135 C134 H134 119.9 . .
C134 C135 C136 120.15(18) . .
C134 C135 H135 119.9 . .
C136 C135 H135 119.9 . .
C131 C136 C135 119.83(18) . .
C131 C136 H136 120.1 . .
C135 C136 H136 120.1 . .
C111 P101 C121 106.88(8) . .
C111 P101 C101 110.76(9) . .
C121 P101 C101 110.88(8) . .
C111 P101 C131 110.31(8) . .
C121 P101 C131 109.76(8) . .
C101 P101 C131 108.25(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 S1 2.1945(6) .
Ni1 S1 2.1945(6) 2_556
Ni1 S2 2.1986(5) 2_556
Ni1 S2 2.1986(5) .
S1 C1 1.7322(18) .
S2 C2 1.7346(19) .
S3 C4 1.7505(19) .
S3 C2 1.7504(19) .
S4 C4 1.6776(19) .
C1 C2 1.345(3) .
C1 N3 1.405(2) .
N3 C4 1.341(2) .
N3 C3 1.447(2) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C3 H3D 0.9800 .
C3 H3E 0.9800 .
C3 H3F 0.9800 .
C101 C106 1.387(3) .
C101 C102 1.402(3) .
C101 P101 1.7994(18) .
C102 C103 1.386(3) .
C102 H102 0.9500 .
C103 C104 1.383(3) .
C103 H103 0.9500 .
C104 C105 1.386(3) .
C104 H104 0.9500 .
C105 C106 1.392(3) .
C105 H105 0.9500 .
C106 H106 0.9500 .
C111 C116 1.393(2) .
C111 C112 1.402(2) .
C111 P101 1.7940(19) .
C112 C113 1.381(3) .
C112 H112 0.9500 .
C113 C114 1.393(3) .
C113 H113 0.9500 .
C114 C115 1.381(3) .
C114 H114 0.9500 .
C115 C116 1.392(3) .
C115 H115 0.9500 .
C116 H116 0.9500 .
C121 C126 1.391(2) .
C121 C122 1.403(3) .
C121 P101 1.7946(18) .
C122 C123 1.381(3) .
C122 H122 0.9500 .
C123 C124 1.387(3) .
C123 H123 0.9500 .
C124 C125 1.386(3) .
C124 H124 0.9500 .
C125 C126 1.385(3) .
C125 H125 0.9500 .
C126 H126 0.9500 .
C131 C136 1.387(3) .
C131 C132 1.397(3) .
C131 P101 1.7992(18) .
C132 C133 1.388(3) .
C132 H132 0.9500 .
C133 C134 1.380(3) .
C133 H133 0.9500 .
C134 C135 1.385(3) .
C134 H134 0.9500 .
C135 C136 1.390(3) .
C135 H135 0.9500 .
C136 H136 0.9500 .
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
S1 Ni1 S1 C1 5(100) 2_556
S2 Ni1 S1 C1 176.84(6) 2_556
S2 Ni1 S1 C1 -3.16(6) .
S1 Ni1 S2 C2 2.08(6) .
S1 Ni1 S2 C2 -177.92(6) 2_556
S2 Ni1 S2 C2 -47(100) 2_556
Ni1 S1 C1 C2 4.17(16) .
Ni1 S1 C1 N3 -173.26(13) .
N3 C1 C2 S2 174.65(12) .
S1 C1 C2 S2 -3.0(2) .
N3 C1 C2 S3 -0.64(19) .
S1 C1 C2 S3 -178.29(10) .
Ni1 S2 C2 C1 -0.06(16) .
Ni1 S2 C2 S3 174.35(11) .
C4 S3 C2 C1 1.69(14) .
C4 S3 C2 S2 -173.31(13) .
C2 C1 N3 C4 -1.2(2) .
S1 C1 N3 C4 176.39(13) .
C2 C1 N3 C3 -177.75(16) .
S1 C1 N3 C3 -0.1(2) .
C1 N3 C4 S4 -176.66(13) .
C3 N3 C4 S4 -0.1(2) .
C1 N3 C4 S3 2.46(18) .
C3 N3 C4 S3 178.98(13) .
C2 S3 C4 N3 -2.35(13) .
C2 S3 C4 S4 176.80(12) .
C106 C101 C102 C103 -1.8(3) .
P101 C101 C102 C103 178.08(14) .
C101 C102 C103 C104 1.2(3) .
C102 C103 C104 C105 0.1(3) .
C103 C104 C105 C106 -0.8(3) .
C102 C101 C106 C105 1.0(3) .
P101 C101 C106 C105 -178.83(14) .
C104 C105 C106 C101 0.3(3) .
C116 C111 C112 C113 2.6(3) .
P101 C111 C112 C113 179.97(15) .
C111 C112 C113 C114 -1.7(3) .
C112 C113 C114 C115 -0.6(3) .
C113 C114 C115 C116 1.9(3) .
C114 C115 C116 C111 -1.0(3) .
C112 C111 C116 C115 -1.3(3) .
P101 C111 C116 C115 -178.51(14) .
C126 C121 C122 C123 0.7(3) .
P101 C121 C122 C123 179.44(15) .
C121 C122 C123 C124 -1.2(3) .
C122 C123 C124 C125 0.7(3) .
C123 C124 C125 C126 0.2(3) .
C124 C125 C126 C121 -0.6(3) .
C122 C121 C126 C125 0.2(3) .
P101 C121 C126 C125 -178.51(15) .
C136 C131 C132 C133 -1.3(3) .
P101 C131 C132 C133 179.34(14) .
C131 C132 C133 C134 1.1(3) .
C132 C133 C134 C135 0.0(3) .
C133 C134 C135 C136 -1.0(3) .
C132 C131 C136 C135 0.3(3) .
P101 C131 C136 C135 179.69(14) .
C134 C135 C136 C131 0.8(3) .
C116 C111 P101 C121 114.15(16) .
C112 C111 P101 C121 -63.12(16) .
C116 C111 P101 C101 -124.96(15) .
C112 C111 P101 C101 57.77(16) .
C116 C111 P101 C131 -5.13(18) .
C112 C111 P101 C131 177.60(14) .
C126 C121 P101 C111 125.65(16) .
C122 C121 P101 C111 -53.09(17) .
C126 C121 P101 C101 4.84(18) .
C122 C121 P101 C101 -173.90(14) .
C126 C121 P101 C131 -114.72(16) .
C122 C121 P101 C131 66.55(17) .
C106 C101 P101 C111 1.67(17) .
C102 C101 P101 C111 -178.20(14) .
C106 C101 P101 C121 120.15(15) .
C102 C101 P101 C121 -59.71(16) .
C106 C101 P101 C131 -119.39(15) .
C102 C101 P101 C131 60.75(16) .
C136 C131 P101 C111 117.54(15) .
C132 C131 P101 C111 -63.08(16) .
C136 C131 P101 C121 0.03(17) .
C132 C131 P101 C121 179.41(14) .
C136 C131 P101 C101 -121.12(15) .
C132 C131 P101 C101 58.26(16) .
