#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:42:33 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178720 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/31/4083168.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_4083168
loop_
_publ_author_name
'Ghisolfi, Alessio'
'Fliedel, Christophe'
'Rosa, Vitor'
'Monakhov, Kirill Yu.'
'Braunstein, Pierre'
_publ_section_title
;
 Combined Experimental and Theoretical Study of
 Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II)
 Complexes for Catalytic Ethylene Oligomerization
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2523
_journal_paper_doi               10.1021/om500141k
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C62 H54 N2 Ni P4 S4, 4(C H2 Cl2), 2(B F4)'
_chemical_formula_sum            'C66 H62 B2 Cl8 F8 N2 Ni P4 S4'
_chemical_formula_weight         1651.23
_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                105.0760(10)
_cell_angle_beta                 93.1970(10)
_cell_angle_gamma                90.6540(10)
_cell_formula_units_Z            1
_cell_length_a                   9.1292(4)
_cell_length_b                   13.6817(5)
_cell_length_c                   15.2189(6)
_cell_measurement_reflns_used    9332
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.07
_cell_measurement_theta_min      2.56
_cell_volume                     1831.94(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0158
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34878
_diffrn_reflns_theta_full        32.17
_diffrn_reflns_theta_max         32.17
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.820
_exptl_absorpt_correction_T_max  0.8532
_exptl_absorpt_correction_T_min  0.7350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             842
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         12714
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0335
_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)+(0.0337P)²+1.3099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0865
_reflns_number_gt                10497
_reflns_number_total             12714
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om500141k_si_002.cif
_cod_data_source_block           compound_7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4083164--4083170.cif.
;
_cod_database_code               4083168
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.73935(13) 0.30785(9) 0.95871(8) 0.0161(2) Uani 1 1 d . . .
C2 C 0.85504(14) 0.25280(10) 0.91490(9) 0.0205(2) Uani 1 1 d . . .
H2 H 0.8848 0.2627 0.8589 0.025 Uiso 1 1 calc R . .
C3 C 0.92600(16) 0.18364(11) 0.95386(11) 0.0262(3) Uani 1 1 d . . .
H3 H 1.0035 0.1455 0.9238 0.031 Uiso 1 1 calc R . .
C4 C 0.88461(18) 0.16984(12) 1.03617(12) 0.0298(3) Uani 1 1 d . . .
H4 H 0.9341 0.1226 1.0624 0.036 Uiso 1 1 calc R . .
C5 C 0.77098(18) 0.22491(12) 1.08047(10) 0.0280(3) Uani 1 1 d . . .
H5 H 0.7434 0.2158 1.1371 0.034 Uiso 1 1 calc R . .
C6 C 0.69780(15) 0.29334(10) 1.04176(9) 0.0210(2) Uani 1 1 d . . .
H6 H 0.6193 0.3304 1.0717 0.025 Uiso 1 1 calc R . .
C7 C 0.73166(14) 0.44665(9) 0.83948(8) 0.0169(2) Uani 1 1 d . . .
C8 C 0.65644(17) 0.48499(11) 0.77387(10) 0.0263(3) Uani 1 1 d . . .
H8 H 0.5544 0.4706 0.7604 0.032 Uiso 1 1 calc R . .
C9 C 0.7306(2) 0.54407(14) 0.72832(13) 0.0376(4) Uani 1 1 d . . .
H9 H 0.6797 0.5688 0.6827 0.045 Uiso 1 1 calc R . .
C10 C 0.8789(2) 0.56713(14) 0.74928(14) 0.0400(4) Uani 1 1 d . . .
H10 H 0.9294 0.6076 0.7179 0.048 Uiso 1 1 calc R . .
C11 C 0.95319(17) 0.53142(13) 0.81565(13) 0.0336(3) Uani 1 1 d . . .
H11 H 1.0544 0.5483 0.8304 0.040 Uiso 1 1 calc R . .
C12 C 0.88075(15) 0.47095(11) 0.86110(10) 0.0240(3) Uani 1 1 d . . .
H12 H 0.9323 0.4463 0.9066 0.029 Uiso 1 1 calc R . .
C13 C 0.21021(13) 0.26291(10) 0.76290(9) 0.0177(2) Uani 1 1 d . . .
C14 C 0.13226(14) 0.17049(10) 0.74083(9) 0.0212(2) Uani 1 1 d . . .
H14 H 0.1419 0.1262 0.7795 0.025 Uiso 1 1 calc R . .
C15 C 0.04035(16) 0.14375(12) 0.66170(11) 0.0284(3) Uani 1 1 d . . .
H15 H -0.0113 0.0803 0.6456 0.034 Uiso 1 1 calc R . .
C16 C 0.02390(18) 0.20909(14) 0.60642(11) 0.0337(3) Uani 1 1 d . . .
H16 H -0.0388 0.1903 0.5525 0.040 Uiso 1 1 calc R . .
C17 C 0.09861(19) 0.30227(14) 0.62937(11) 0.0345(3) Uani 1 1 d . . .
H17 H 0.0853 0.3475 0.5918 0.041 Uiso 1 1 calc R . .
C18 C 0.19238(17) 0.32908(11) 0.70700(10) 0.0271(3) Uani 1 1 d . . .
H18 H 0.2445 0.3923 0.7223 0.032 Uiso 1 1 calc R . .
C19 C 0.31672(14) 0.22191(10) 0.93621(9) 0.0189(2) Uani 1 1 d . . .
C20 C 0.27929(17) 0.26123(12) 1.02641(10) 0.0259(3) Uani 1 1 d . . .
H20 H 0.2612 0.3313 1.0485 0.031 Uiso 1 1 calc R . .
C21 C 0.2688(2) 0.19713(14) 1.08339(11) 0.0351(4) Uani 1 1 d . . .
H21 H 0.2432 0.2235 1.1445 0.042 Uiso 1 1 calc R . .
C22 C 0.2955(2) 0.09523(15) 1.05139(13) 0.0393(4) Uani 1 1 d . . .
H22 H 0.2879 0.0518 1.0906 0.047 Uiso 1 1 calc R . .
C23 C 0.3334(2) 0.05590(13) 0.96227(13) 0.0347(3) Uani 1 1 d . . .
H23 H 0.3517 -0.0142 0.9408 0.042 Uiso 1 1 calc R . .
C24 C 0.34453(16) 0.11863(11) 0.90441(10) 0.0246(3) Uani 1 1 d . . .
H24 H 0.3709 0.0917 0.8435 0.030 Uiso 1 1 calc R . .
C25 C 0.55566(13) 0.22925(9) 0.75210(8) 0.0157(2) Uani 1 1 d . . .
C26 C 0.54290(16) 0.24621(10) 0.66590(9) 0.0211(2) Uani 1 1 d . . .
H26 H 0.4984 0.3060 0.6578 0.025 Uiso 1 1 calc R . .
C27 C 0.59479(16) 0.17640(10) 0.59146(9) 0.0228(2) Uani 1 1 d . . .
H27 H 0.5849 0.1883 0.5326 0.027 Uiso 1 1 calc R . .
C28 C 0.66135(14) 0.08894(10) 0.60283(9) 0.0196(2) Uani 1 1 d . . .
C29 C 0.67492(15) 0.07222(10) 0.68977(9) 0.0200(2) Uani 1 1 d . . .
H29 H 0.7211 0.0132 0.6981 0.024 Uiso 1 1 calc R . .
C30 C 0.62119(14) 0.14150(9) 0.76391(9) 0.0181(2) Uani 1 1 d . . .
H30 H 0.6290 0.1292 0.8226 0.022 Uiso 1 1 calc R . .
C31 C 0.6816(2) 0.03969(14) 0.41480(10) 0.0350(4) Uani 1 1 d . . .
H31A H 0.5763 0.0528 0.4130 0.052 Uiso 1 1 calc R . .
H31B H 0.7041 -0.0121 0.3598 0.052 Uiso 1 1 calc R . .
H31C H 0.7372 0.1023 0.4177 0.052 Uiso 1 1 calc R . .
C32 C 0.2934(3) 0.25437(19) 0.41703(18) 0.0581(6) Uani 1 1 d . . .
H32A H 0.2769 0.2056 0.4537 0.070 Uiso 1 1 calc R . .
H32B H 0.1967 0.2707 0.3926 0.070 Uiso 1 1 calc R . .
C33 C 0.2442(3) 0.6661(2) 0.6277(2) 0.0630(7) Uani 1 1 d D . .
H33A H 0.3247 0.6862 0.5945 0.076 Uiso 1 1 calc R A 1
H33B H 0.2005 0.7281 0.6647 0.076 Uiso 1 1 calc R A 1
N1 N 0.50440(11) 0.30523(8) 0.82913(7) 0.01467(18) Uani 1 1 d . . .
B1 B 1.0215(2) 0.88954(15) 0.73794(14) 0.0340(4) Uani 1 1 d . . .
F1 F 0.98781(16) 0.89416(11) 0.64947(9) 0.0598(4) Uani 1 1 d . . .
F2 F 0.98177(15) 0.79486(9) 0.74679(9) 0.0501(3) Uani 1 1 d . . .
F3 F 0.9461(2) 0.96202(12) 0.79750(12) 0.0783(5) Uani 1 1 d . . .
F4 F 1.17124(15) 0.90588(12) 0.75880(9) 0.0584(4) Uani 1 1 d . . .
P1 P 0.62434(3) 0.38556(2) 0.90639(2) 0.01318(6) Uani 1 1 d . . .
P2 P 0.33201(3) 0.30357(2) 0.86203(2) 0.01431(6) Uani 1 1 d . . .
S1 S 0.29117(3) 0.44916(2) 0.92429(2) 0.01791(6) Uani 1 1 d . . .
S2 S 0.73130(4) -0.00401(3) 0.51359(2) 0.02760(8) Uani 1 1 d . . .
Ni1 Ni 0.5000 0.5000 1.0000 0.01296(5) Uani 1 2 d S . .
Cl1 Cl 0.37845(8) 0.36529(5) 0.48715(4) 0.05847(15) Uani 1 1 d . . .
Cl2 Cl 0.40097(8) 0.19871(5) 0.32637(5) 0.06450(16) Uani 1 1 d . . .
Cl3 Cl 0.30990(8) 0.59112(5) 0.69697(5) 0.05986(15) Uani 1 1 d . B .
Cl4 Cl 0.1049(2) 0.58866(16) 0.54744(10) 0.0878(5) Uani 0.60 1 d P B 1
Cl4B Cl 0.1869(4) 0.6182(2) 0.5186(2) 0.1041(9) Uani 0.40 1 d PD B 2
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
C2 C1 C6 119.62(12) . .
C2 C1 P1 122.76(10) . .
C6 C1 P1 117.14(9) . .
C3 C2 C1 119.55(13) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C4 C3 C2 120.54(13) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 120.23(13) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 119.87(14) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C1 120.19(13) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
C8 C7 C12 119.62(12) . .
C8 C7 P1 117.41(10) . .
C12 C7 P1 122.11(10) . .
C9 C8 C7 120.05(14) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C10 C9 C8 120.13(15) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C11 C10 C9 120.12(15) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 120.42(15) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C11 C12 C7 119.63(14) . .
C11 C12 H12 120.2 . .
C7 C12 H12 120.2 . .
C14 C13 C18 119.95(12) . .
C14 C13 P2 122.95(10) . .
C18 C13 P2 117.09(10) . .
C15 C14 C13 119.50(13) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C16 C15 C14 120.29(14) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C15 C16 C17 120.36(14) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 119.97(15) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C13 119.91(14) . .
C17 C18 H18 120.0 . .
C13 C18 H18 120.0 . .
C24 C19 C20 119.79(13) . .
C24 C19 P2 119.93(10) . .
C20 C19 P2 120.27(11) . .
C21 C20 C19 119.66(15) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C22 C21 C20 120.23(16) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 120.39(15) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C24 C23 C22 120.24(16) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C23 C24 C19 119.68(14) . .
C23 C24 H24 120.2 . .
C19 C24 H24 120.2 . .
C26 C25 C30 119.76(11) . .
C26 C25 N1 119.11(11) . .
C30 C25 N1 121.10(11) . .
C27 C26 C25 120.42(12) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 120.15(12) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C27 C28 C29 119.39(12) . .
C27 C28 S2 123.92(10) . .
C29 C28 S2 116.70(10) . .
C30 C29 C28 120.36(12) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C29 C30 C25 119.92(12) . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
S2 C31 H31A 109.5 . .
S2 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
S2 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Cl2 C32 Cl1 111.34(14) . .
Cl2 C32 H32A 109.4 . .
Cl1 C32 H32A 109.4 . .
Cl2 C32 H32B 109.4 . .
Cl1 C32 H32B 109.4 . .
H32A C32 H32B 108.0 . .
Cl4B C33 Cl3 122.70(19) . .
Cl3 C33 Cl4 106.24(15) . .
Cl4B C33 H33A 77.2 . .
Cl3 C33 H33A 110.5 . .
Cl4 C33 H33A 110.5 . .
Cl4B C33 H33B 120.5 . .
Cl3 C33 H33B 110.5 . .
Cl4 C33 H33B 110.5 . .
H33A C33 H33B 108.7 . .
C25 N1 P2 122.34(8) . .
C25 N1 P1 121.61(8) . .
P2 N1 P1 114.67(6) . .
F3 B1 F1 109.86(17) . .
F3 B1 F2 109.18(17) . .
F1 B1 F2 109.47(16) . .
F3 B1 F4 109.43(17) . .
F1 B1 F4 109.87(16) . .
F2 B1 F4 109.02(16) . .
N1 P1 C7 105.12(6) . .
N1 P1 C1 106.89(5) . .
C7 P1 C1 110.02(6) . .
N1 P1 Ni1 109.34(4) . .
C7 P1 Ni1 109.18(4) . .
C1 P1 Ni1 115.74(4) . .
N1 P2 C13 108.66(6) . .
N1 P2 C19 110.32(6) . .
C13 P2 C19 111.23(6) . .
N1 P2 S1 105.23(4) . .
C13 P2 S1 108.67(4) . .
C19 P2 S1 112.48(5) . .
P2 S1 Ni1 101.541(15) . .
C28 S2 C31 103.09(7) . .
S1 Ni1 S1 180.0 2_667 .
S1 Ni1 P1 86.845(11) 2_667 .
S1 Ni1 P1 93.155(11) . .
S1 Ni1 P1 93.155(11) 2_667 2_667
S1 Ni1 P1 86.845(11) . 2_667
P1 Ni1 P1 180.0 . 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.4010(17) .
C1 C6 1.4011(18) .
C1 P1 1.7999(12) .
C2 C3 1.3892(19) .
C2 H2 0.9500 .
C3 C4 1.386(2) .
C3 H3 0.9500 .
C4 C5 1.389(2) .
C4 H4 0.9500 .
C5 C6 1.3882(19) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.3957(18) .
C7 C12 1.3979(18) .
C7 P1 1.7974(13) .
C8 C9 1.387(2) .
C8 H8 0.9500 .
C9 C10 1.387(3) .
C9 H9 0.9500 .
C10 C11 1.381(3) .
C10 H10 0.9500 .
C11 C12 1.392(2) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.3965(18) .
C13 C18 1.3994(19) .
C13 P2 1.7844(13) .
C14 C15 1.3925(19) .
C14 H14 0.9500 .
C15 C16 1.382(2) .
C15 H15 0.9500 .
C16 C17 1.391(2) .
C16 H16 0.9500 .
C17 C18 1.385(2) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C24 1.4006(19) .
C19 C20 1.4010(19) .
C19 P2 1.7922(13) .
C20 C21 1.390(2) .
C20 H20 0.9500 .
C21 C22 1.381(3) .
C21 H21 0.9500 .
C22 C23 1.388(3) .
C22 H22 0.9500 .
C23 C24 1.387(2) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.3894(17) .
C25 C30 1.3958(17) .
C25 N1 1.4534(15) .
C26 C27 1.3883(18) .
C26 H26 0.9500 .
C27 C28 1.3941(19) .
C27 H27 0.9500 .
C28 C29 1.3994(19) .
C28 S2 1.7568(13) .
C29 C30 1.3885(17) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 S2 1.7948(18) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 Cl2 1.752(3) .
C32 Cl1 1.756(3) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 Cl4B 1.670(4) .
C33 Cl3 1.741(2) .
C33 Cl4 1.831(3) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
N1 P2 1.6796(11) .
N1 P1 1.7163(10) .
B1 F3 1.377(3) .
B1 F1 1.382(2) .
B1 F2 1.383(2) .
B1 F4 1.389(2) .
P1 Ni1 2.1978(3) .
P2 S1 2.0196(4) .
S1 Ni1 2.1803(3) .
Ni1 S1 2.1803(3) 2_667
Ni1 P1 2.1978(3) 2_667
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
C6 C1 C2 C3 0.75(19) .
P1 C1 C2 C3 -171.05(11) .
C1 C2 C3 C4 -0.9(2) .
C2 C3 C4 C5 0.3(2) .
C3 C4 C5 C6 0.6(2) .
C4 C5 C6 C1 -0.7(2) .
C2 C1 C6 C5 0.1(2) .
P1 C1 C6 C5 172.34(11) .
C12 C7 C8 C9 2.1(2) .
P1 C7 C8 C9 171.74(13) .
C7 C8 C9 C10 -1.5(3) .
C8 C9 C10 C11 -0.1(3) .
C9 C10 C11 C12 0.9(3) .
C10 C11 C12 C7 -0.2(3) .
C8 C7 C12 C11 -1.3(2) .
P1 C7 C12 C11 -170.39(12) .
C18 C13 C14 C15 1.8(2) .
P2 C13 C14 C15 -179.37(11) .
C13 C14 C15 C16 -1.4(2) .
C14 C15 C16 C17 -0.2(3) .
C15 C16 C17 C18 1.3(3) .
C16 C17 C18 C13 -0.9(3) .
C14 C13 C18 C17 -0.7(2) .
P2 C13 C18 C17 -179.56(13) .
C24 C19 C20 C21 -0.6(2) .
P2 C19 C20 C21 -179.56(12) .
C19 C20 C21 C22 0.2(3) .
C20 C21 C22 C23 0.2(3) .
C21 C22 C23 C24 -0.1(3) .
C22 C23 C24 C19 -0.3(2) .
C20 C19 C24 C23 0.6(2) .
P2 C19 C24 C23 179.62(12) .
C30 C25 C26 C27 0.1(2) .
N1 C25 C26 C27 178.11(12) .
C25 C26 C27 C28 -0.5(2) .
C26 C27 C28 C29 0.2(2) .
C26 C27 C28 S2 -179.78(11) .
C27 C28 C29 C30 0.7(2) .
S2 C28 C29 C30 -179.36(10) .
C28 C29 C30 C25 -1.2(2) .
C26 C25 C30 C29 0.80(19) .
N1 C25 C30 C29 -177.21(11) .
C26 C25 N1 P2 90.58(13) .
C30 C25 N1 P2 -91.40(13) .
C26 C25 N1 P1 -103.58(13) .
C30 C25 N1 P1 74.45(14) .
C25 N1 P1 C7 55.45(10) .
P2 N1 P1 C7 -137.69(7) .
C25 N1 P1 C1 -61.46(11) .
P2 N1 P1 C1 105.40(7) .
C25 N1 P1 Ni1 172.56(8) .
P2 N1 P1 Ni1 -20.59(7) .
C8 C7 P1 N1 46.85(12) .
C12 C7 P1 N1 -143.82(11) .
C8 C7 P1 C1 161.61(10) .
C12 C7 P1 C1 -29.06(13) .
C8 C7 P1 Ni1 -70.35(11) .
C12 C7 P1 Ni1 98.98(11) .
C2 C1 P1 N1 76.72(12) .
C6 C1 P1 N1 -95.27(10) .
C2 C1 P1 C7 -36.91(12) .
C6 C1 P1 C7 151.10(10) .
C2 C1 P1 Ni1 -161.24(9) .
C6 C1 P1 Ni1 26.77(11) .
C25 N1 P2 C13 -37.39(11) .
P1 N1 P2 C13 155.86(6) .
C25 N1 P2 C19 84.80(10) .
P1 N1 P2 C19 -81.95(8) .
C25 N1 P2 S1 -153.63(9) .
P1 N1 P2 S1 39.62(7) .
C14 C13 P2 N1 112.13(11) .
C18 C13 P2 N1 -69.02(12) .
C14 C13 P2 C19 -9.51(13) .
C18 C13 P2 C19 169.34(11) .
C14 C13 P2 S1 -133.87(10) .
C18 C13 P2 S1 44.99(12) .
C24 C19 P2 N1 -61.54(12) .
C20 C19 P2 N1 117.45(11) .
C24 C19 P2 C13 59.13(12) .
C20 C19 P2 C13 -121.89(11) .
C24 C19 P2 S1 -178.70(10) .
C20 C19 P2 S1 0.29(12) .
N1 P2 S1 Ni1 -39.94(4) .
C13 P2 S1 Ni1 -156.17(5) .
C19 P2 S1 Ni1 80.21(5) .
C27 C28 S2 C31 -4.13(14) .
C29 C28 S2 C31 175.94(11) .
P2 S1 Ni1 P1 24.900(17) .
P2 S1 Ni1 P1 -155.100(17) 2_667
N1 P1 Ni1 S1 173.75(4) 2_667
C7 P1 Ni1 S1 -71.74(5) 2_667
C1 P1 Ni1 S1 53.02(5) 2_667
N1 P1 Ni1 S1 -6.25(4) .
C7 P1 Ni1 S1 108.26(5) .
C1 P1 Ni1 S1 -126.98(5) .
