#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:36:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179508 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/05/4340582.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_4340582
loop_
_publ_author_name
'Filatre-Furcate, Agathe'
'Bellec, Nathalie'
'Jeannin, Olivier'
'Auban-Senzier, Pascale'
'Fourmigué, Marc'
'Vacher, Antoine'
'Lorcy, Dominique'
_publ_section_title
;
 Radical or not radical: compared structures of metal (m = ni, au)
 bis-dithiolene complexes with a thiazole backbone.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8681
_journal_page_last               8690
_journal_paper_doi               10.1021/ic501293z
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         '2(C24 H20 P), C10 H10 N2 Ni S8 '
_chemical_formula_sum            'C58 H50 N2 Ni P2 S8'
_chemical_formula_weight         1152.13
_chemical_name_common            '[PPh4]2[Ni(Et-thiazdt)2]'
_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                98.28(2)
_cell_angle_beta                 96.835(19)
_cell_angle_gamma                99.802(18)
_cell_formula_units_Z            1
_cell_length_a                   7.4923(15)
_cell_length_b                   12.525(3)
_cell_length_c                   14.916(4)
_cell_measurement_reflns_used    5478
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.51
_cell_volume                     1350.1(6)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_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    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30652
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.52
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             598
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         6204
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0385
_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)+(0.0343P)²+0.7393P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                4711
_reflns_number_total             6204
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501293z_si_001.cif
_cod_data_source_block           dianion
_cod_depositor_comments
'Adding full bibliography for 4340582--4340584.cif.'
_cod_original_cell_volume        1350.0(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340582
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
C1 C 0.2507(3) -0.10920(18) 0.88620(15) 0.0356(5) Uani 1 1 d .
C2 C 0.2838(3) -0.19042(19) 0.72622(16) 0.0404(5) Uani 1 1 d .
C3 C 0.1102(3) -0.10460(17) 0.82336(14) 0.0324(4) Uani 1 1 d .
C4 C -0.0133(4) -0.1576(2) 0.65587(16) 0.0491(6) Uani 1 1 d .
H4A H -0.1322 -0.1667 0.6764 0.059 Uiso 1 1 calc R
H4B H -0.0123 -0.2218 0.6112 0.059 Uiso 1 1 calc R
C5 C 0.0127(5) -0.0579(3) 0.6109(2) 0.0743(9) Uani 1 1 d .
H5A H 0.0158 0.0063 0.6553 0.112 Uiso 1 1 calc R
H5B H -0.0869 -0.0644 0.5624 0.112 Uiso 1 1 calc R
H5C H 0.1260 -0.0515 0.5863 0.112 Uiso 1 1 calc R
C6 C 0.1556(3) 0.36925(18) 0.65148(15) 0.0364(5) Uani 1 1 d .
C7 C 0.2526(4) 0.2892(2) 0.62076(18) 0.0513(6) Uani 1 1 d .
H7 H 0.2600 0.2305 0.6519 0.062 Uiso 1 1 calc R
C8 C 0.3378(4) 0.2967(2) 0.54403(19) 0.0566(7) Uani 1 1 d .
H8 H 0.4016 0.2428 0.5232 0.068 Uiso 1 1 calc R
C9 C 0.3279(4) 0.3843(3) 0.49834(18) 0.0567(7) Uani 1 1 d .
H9 H 0.3832 0.3887 0.4460 0.068 Uiso 1 1 calc R
C10 C 0.2371(4) 0.4644(2) 0.52995(19) 0.0561(7) Uani 1 1 d .
H10 H 0.2333 0.5239 0.4995 0.067 Uiso 1 1 calc R
C11 C 0.1502(3) 0.4584(2) 0.60692(17) 0.0460(6) Uani 1 1 d .
H11 H 0.0894 0.5136 0.6282 0.055 Uiso 1 1 calc R
C12 C -0.0499(3) 0.47183(18) 0.78724(16) 0.0376(5) Uani 1 1 d .
C13 C -0.2070(4) 0.4888(2) 0.73507(19) 0.0531(6) Uani 1 1 d .
H13 H -0.2634 0.4379 0.6836 0.064 Uiso 1 1 calc R
C14 C -0.2787(4) 0.5820(3) 0.7603(2) 0.0646(8) Uani 1 1 d .
H14 H -0.3824 0.5941 0.7252 0.078 Uiso 1 1 calc R
C15 C -0.1965(5) 0.6564(2) 0.8370(3) 0.0689(9) Uani 1 1 d .
H15 H -0.2447 0.7189 0.8535 0.083 Uiso 1 1 calc R
C16 C -0.0445(5) 0.6395(2) 0.8893(3) 0.0725(9) Uani 1 1 d .
H16 H 0.0094 0.6901 0.9414 0.087 Uiso 1 1 calc R
C17 C 0.0296(4) 0.5470(2) 0.8648(2) 0.0565(7) Uani 1 1 d .
H17 H 0.1328 0.5356 0.9006 0.068 Uiso 1 1 calc R
C18 C 0.2134(3) 0.32972(18) 0.83558(15) 0.0356(5) Uani 1 1 d .
C19 C 0.3769(3) 0.40727(19) 0.85515(17) 0.0432(5) Uani 1 1 d .
H19 H 0.3893 0.4687 0.8264 0.052 Uiso 1 1 calc R
C20 C 0.5196(3) 0.3931(2) 0.91691(18) 0.0478(6) Uani 1 1 d .
H20 H 0.6283 0.4447 0.9297 0.057 Uiso 1 1 calc R
C21 C 0.5004(4) 0.3020(2) 0.95953(19) 0.0528(6) Uani 1 1 d .
H21 H 0.5961 0.2928 1.0017 0.063 Uiso 1 1 calc R
C22 C 0.3409(4) 0.2245(2) 0.94018(19) 0.0549(7) Uani 1 1 d .
H22 H 0.3300 0.1631 0.9689 0.066 Uiso 1 1 calc R
C23 C 0.1961(3) 0.2375(2) 0.87804(17) 0.0442(6) Uani 1 1 d .
H23 H 0.0886 0.1850 0.8649 0.053 Uiso 1 1 calc R
C24 C -0.1472(3) 0.23791(17) 0.71702(16) 0.0361(5) Uani 1 1 d .
C25 C -0.2462(3) 0.1994(2) 0.78327(18) 0.0456(6) Uani 1 1 d .
H25 H -0.2130 0.2319 0.8445 0.055 Uiso 1 1 calc R
C26 C -0.3940(4) 0.1127(2) 0.7577(2) 0.0552(7) Uani 1 1 d .
H26 H -0.4590 0.0860 0.8018 0.066 Uiso 1 1 calc R
C27 C -0.4437(4) 0.0666(2) 0.6673(2) 0.0629(8) Uani 1 1 d .
H27 H -0.5413 0.0075 0.6503 0.076 Uiso 1 1 calc R
C28 C -0.3506(4) 0.1069(2) 0.6011(2) 0.0648(8) Uani 1 1 d .
H28 H -0.3882 0.0763 0.5398 0.078 Uiso 1 1 calc R
C29 C -0.2014(4) 0.1926(2) 0.62556(18) 0.0501(6) Uani 1 1 d .
H29 H -0.1383 0.2195 0.5809 0.060 Uiso 1 1 calc R
N1 N 0.1278(3) -0.15127(15) 0.73384(12) 0.0361(4) Uani 1 1 d .
P1 P 0.04153(8) 0.35191(5) 0.74954(4) 0.03322(13) Uani 1 1 d .
S1 S 0.25429(8) -0.06681(5) 1.00248(4) 0.04047(14) Uani 1 1 d .
S2 S 0.41479(8) -0.16880(6) 0.83328(4) 0.04586(16) Uani 1 1 d .
S3 S 0.35065(11) -0.24760(6) 0.62899(5) 0.0602(2) Uani 1 1 d .
S4 S -0.07816(7) -0.04931(5) 0.85105(4) 0.03703(13) Uani 1 1 d .
Ni1 Ni 0.0000 0.0000 1.0000 0.02985(10) Uani 1 2 d S
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'
Au Au -2.0133 8.8022 '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
C3 C1 S1 122.63(16) . .
C3 C1 S2 109.92(16) . .
S1 C1 S2 127.38(13) . .
N1 C2 S3 127.09(19) . .
N1 C2 S2 109.18(16) . .
S3 C2 S2 123.70(14) . .
C1 C3 N1 113.56(18) . .
C1 C3 S4 122.74(16) . .
N1 C3 S4 123.68(16) . .
N1 C4 C5 112.8(2) . .
N1 C4 H4A 109.0 . .
C5 C4 H4A 109.0 . .
N1 C4 H4B 109.0 . .
C5 C4 H4B 109.0 . .
H4A C4 H4B 107.8 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C11 C6 C7 119.8(2) . .
C11 C6 P1 122.44(18) . .
C7 C6 P1 117.77(18) . .
C8 C7 C6 120.1(2) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C9 C8 C7 119.9(3) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C8 120.0(2) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C9 C10 C11 121.1(3) . .
C9 C10 H10 119.5 . .
C11 C10 H10 119.5 . .
C6 C11 C10 119.1(2) . .
C6 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C17 C12 C13 119.4(2) . .
C17 C12 P1 122.62(19) . .
C13 C12 P1 118.02(19) . .
C14 C13 C12 119.8(3) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C15 C14 C13 120.0(3) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C16 C15 C14 120.6(3) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C15 C16 C17 120.2(3) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C12 C17 C16 120.1(3) . .
C12 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C23 C18 C19 119.6(2) . .
C23 C18 P1 123.53(17) . .
C19 C18 P1 116.71(17) . .
C20 C19 C18 120.3(2) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C19 C20 C21 119.6(2) . .
C19 C20 H20 120.2 . .
C21 C20 H20 120.2 . .
C22 C21 C20 120.6(2) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C21 C22 C23 120.4(2) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C18 119.4(2) . .
C22 C23 H23 120.3 . .
C18 C23 H23 120.3 . .
C29 C24 C25 120.0(2) . .
C29 C24 P1 119.89(18) . .
C25 C24 P1 120.03(18) . .
C26 C25 C24 119.9(2) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C27 C26 C25 119.6(3) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C26 C27 C28 120.7(3) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C27 C28 C29 120.4(3) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C24 C29 C28 119.3(3) . .
C24 C29 H29 120.3 . .
C28 C29 H29 120.3 . .
C2 N1 C3 114.91(19) . .
C2 N1 C4 122.93(19) . .
C3 N1 C4 122.15(19) . .
C18 P1 C24 113.15(10) . .
C18 P1 C12 111.38(11) . .
C24 P1 C12 107.61(10) . .
C18 P1 C6 105.26(11) . .
C24 P1 C6 108.60(11) . .
C12 P1 C6 110.83(11) . .
C1 S1 Ni1 100.30(8) . .
C2 S2 C1 92.39(11) . .
C3 S4 Ni1 100.29(8) . .
S4 Ni1 S4 180.00(3) . 2_557
S4 Ni1 S1 86.19(3) . 2_557
S4 Ni1 S1 93.81(3) 2_557 2_557
S4 Ni1 S1 93.81(3) . .
S4 Ni1 S1 86.19(3) 2_557 .
S1 Ni1 S1 180.00(3) 2_557 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C3 1.338(3) .
C1 S1 1.735(2) .
C1 S2 1.751(2) .
C2 N1 1.353(3) .
C2 S3 1.692(2) .
C2 S2 1.732(3) .
C3 N1 1.409(3) .
C3 S4 1.741(2) .
C4 N1 1.459(3) .
C4 C5 1.495(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C11 1.383(3) .
C6 C7 1.392(3) .
C6 P1 1.801(2) .
C7 C8 1.382(4) .
C7 H7 0.9300 .
C8 C9 1.380(4) .
C8 H8 0.9300 .
C9 C10 1.366(4) .
C9 H9 0.9300 .
C10 C11 1.390(4) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C17 1.382(4) .
C12 C13 1.397(3) .
C12 P1 1.800(2) .
C13 C14 1.388(4) .
C13 H13 0.9300 .
C14 C15 1.373(5) .
C14 H14 0.9300 .
C15 C16 1.366(5) .
C15 H15 0.9300 .
C16 C17 1.390(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C23 1.390(3) .
C18 C19 1.399(3) .
C18 P1 1.793(2) .
C19 C20 1.379(3) .
C19 H19 0.9300 .
C20 C21 1.379(4) .
C20 H20 0.9300 .
C21 C22 1.377(4) .
C21 H21 0.9300 .
C22 C23 1.388(3) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C29 1.384(3) .
C24 C25 1.396(3) .
C24 P1 1.795(2) .
C25 C26 1.386(4) .
C25 H25 0.9300 .
C26 C27 1.369(4) .
C26 H26 0.9300 .
C27 C28 1.379(4) .
C27 H27 0.9300 .
C28 C29 1.384(4) .
C28 H28 0.9300 .
C29 H29 0.9300 .
S1 Ni1 2.2060(7) .
S4 Ni1 2.1983(8) .
Ni1 S4 2.1983(8) 2_557
Ni1 S1 2.2060(7) 2_557
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
S1 C1 C3 N1 -175.06(16) .
S2 C1 C3 N1 2.1(2) .
S1 C1 C3 S4 3.3(3) .
S2 C1 C3 S4 -179.55(12) .
C11 C6 C7 C8 -2.3(4) .
P1 C6 C7 C8 178.0(2) .
C6 C7 C8 C9 0.6(4) .
C7 C8 C9 C10 1.2(4) .
C8 C9 C10 C11 -1.3(4) .
C7 C6 C11 C10 2.2(4) .
P1 C6 C11 C10 -178.1(2) .
C9 C10 C11 C6 -0.4(4) .
C17 C12 C13 C14 1.6(4) .
P1 C12 C13 C14 -178.1(2) .
C12 C13 C14 C15 -0.8(4) .
C13 C14 C15 C16 -0.2(5) .
C14 C15 C16 C17 0.6(5) .
C13 C12 C17 C16 -1.3(4) .
P1 C12 C17 C16 178.4(2) .
C15 C16 C17 C12 0.2(5) .
C23 C18 C19 C20 -0.7(4) .
P1 C18 C19 C20 -176.56(19) .
C18 C19 C20 C21 -0.1(4) .
C19 C20 C21 C22 0.7(4) .
C20 C21 C22 C23 -0.6(4) .
C21 C22 C23 C18 -0.2(4) .
C19 C18 C23 C22 0.8(4) .
P1 C18 C23 C22 176.4(2) .
C29 C24 C25 C26 2.8(4) .
P1 C24 C25 C26 178.79(19) .
C24 C25 C26 C27 -1.1(4) .
C25 C26 C27 C28 -1.3(4) .
C26 C27 C28 C29 2.0(5) .
C25 C24 C29 C28 -2.0(4) .
P1 C24 C29 C28 -178.1(2) .
C27 C28 C29 C24 -0.3(4) .
S3 C2 N1 C3 -177.98(17) .
S2 C2 N1 C3 -0.1(2) .
S3 C2 N1 C4 2.7(3) .
S2 C2 N1 C4 -179.52(18) .
C1 C3 N1 C2 -1.3(3) .
S4 C3 N1 C2 -179.66(16) .
C1 C3 N1 C4 178.1(2) .
S4 C3 N1 C4 -0.3(3) .
C5 C4 N1 C2 -91.6(3) .
C5 C4 N1 C3 89.0(3) .
C23 C18 P1 C24 -4.7(2) .
C19 C18 P1 C24 170.96(18) .
C23 C18 P1 C12 116.6(2) .
C19 C18 P1 C12 -67.7(2) .
C23 C18 P1 C6 -123.2(2) .
C19 C18 P1 C6 52.5(2) .
C29 C24 P1 C18 -127.5(2) .
C25 C24 P1 C18 56.5(2) .
C29 C24 P1 C12 109.0(2) .
C25 C24 P1 C12 -67.0(2) .
C29 C24 P1 C6 -11.0(2) .
C25 C24 P1 C6 172.95(19) .
C17 C12 P1 C18 11.7(3) .
C13 C12 P1 C18 -168.68(19) .
C17 C12 P1 C24 136.2(2) .
C13 C12 P1 C24 -44.1(2) .
C17 C12 P1 C6 -105.1(2) .
C13 C12 P1 C6 74.5(2) .
C11 C6 P1 C18 -127.8(2) .
C7 C6 P1 C18 52.0(2) .
C11 C6 P1 C24 110.8(2) .
C7 C6 P1 C24 -69.5(2) .
C11 C6 P1 C12 -7.2(2) .
C7 C6 P1 C12 172.49(19) .
C3 C1 S1 Ni1 -5.1(2) .
S2 C1 S1 Ni1 178.32(14) .
N1 C2 S2 C1 1.12(18) .
S3 C2 S2 C1 179.03(17) .
C3 C1 S2 C2 -1.85(18) .
S1 C1 S2 C2 175.13(17) .
C1 C3 S4 Ni1 0.5(2) .
N1 C3 S4 Ni1 178.74(16) .
C3 S4 Ni1 S1 177.14(7) 2_557
C3 S4 Ni1 S1 -2.86(7) .
C1 S1 Ni1 S4 4.04(8) .
C1 S1 Ni1 S4 -175.96(8) 2_557
