#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:57:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179137 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/99/4309917.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_4309917
loop_
_publ_author_name
'Robert T. Stibrany'
'Stephen Fox'
'Parimal K. Bharadwaj'
'Harvey J. Schugar'
'Joseph A. Potenza'
_publ_section_title
;
Structural and Spectroscopic Features of Mono- and Binuclear Nickel(II)
Complexes with Tetradentate N(amine)2S(thiolate)2 Ligation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8234
_journal_page_last               8242
_journal_paper_doi               10.1021/ic050114h
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C32 H64 N4 Ni2 S4, 2(C3 H7 N O)'
_chemical_formula_sum            'C38 H78 N6 Ni2 O2 S4'
_chemical_formula_weight         896.72
_chemical_name_systematic
; 
 di[υ₂-(N,N'-bis(2-mercaptoκ¹Ni',κ¹Ni''-2-methylprop-1-yl)
-1S*κ¹Ni',3R*κ¹Ni''-cyclohexanediamine)nickel(II)] 2 
dimethylformamide solvate
;
_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                94.870(10)
_cell_angle_beta                 111.170(10)
_cell_angle_gamma                107.785(7)
_cell_formula_units_Z            1
_cell_length_a                   10.435(7)
_cell_length_b                   10.7020(10)
_cell_length_c                   12.251(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297(1)
_cell_measurement_theta_max      17.05
_cell_measurement_theta_min      12.02
_cell_volume                     1185.1(9)
_computing_cell_refinement       'Enraf-Nonius SDP (1985)'
_computing_data_collection       'Enraf-Nonius SDP (1985)'
_computing_data_reduction        'CAD-4-PC (Enraf-Nonius, 1993)'
_computing_molecular_graphics
'ORTEPIII(Burnett & Johnson, 1996);ORTEP32(Farrugia, 1997)'
_computing_publication_material  'SHELXL-97-2 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297(1)
_diffrn_measured_fraction_theta_full 0.735
_diffrn_measured_fraction_theta_max 0.735
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'scintillation counter'
_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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2185
_diffrn_reflns_theta_full        21.98
_diffrn_reflns_theta_max         21.98
_diffrn_reflns_theta_min         2.05
_diffrn_standards_decay_%        2.6
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.007
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.885
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            blue-purple
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_meas      1.25(1)
_exptl_crystal_density_method    'floatation in carbon tetrachloride/heptane'
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.513
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         2127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0495
_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)+(0.0964P)²+0.9639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                1682
_reflns_number_total             2127
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic050114hsi20050124_040612_1.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               4309917
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
Ni Ni 0.54564(9) 0.11412(7) 0.75481(7) 0.0381(3) Uani 1 1 d . . .
S1 S 0.4439(2) 0.25667(19) 0.78976(19) 0.0640(6) Uani 1 1 d . . .
S2 S 0.6695(2) 0.00788(15) 0.69827(15) 0.0438(5) Uani 1 1 d . . .
N1 N 0.7130(7) 0.1899(5) 0.9096(5) 0.0410(16) Uani 1 1 d . . .
N2 N 0.3709(6) 0.0256(5) 0.6078(5) 0.0411(16) Uani 1 1 d . . .
C1 C 0.8431(9) 0.1506(7) 0.9222(7) 0.050(2) Uani 1 1 d . . .
H1A H 0.8339 0.0692 0.9529 0.060 Uiso 1 1 calc R . .
H1B H 0.9329 0.2214 0.9788 0.060 Uiso 1 1 calc R . .
C2 C 0.8516(8) 0.1270(7) 0.8007(6) 0.047(2) Uani 1 1 d . . .
C3 C 0.9693(9) 0.0659(9) 0.8130(8) 0.078(3) Uani 1 1 d . . .
H3A H 1.0645 0.1309 0.8649 0.116 Uiso 1 1 calc R . .
H3B H 0.9679 0.0405 0.7354 0.116 Uiso 1 1 calc R . .
H3C H 0.9496 -0.0121 0.8464 0.116 Uiso 1 1 calc R . .
C4 C 0.8931(9) 0.2604(6) 0.7622(6) 0.061(2) Uani 1 1 d . . .
H4A H 0.8172 0.2970 0.7513 0.091 Uiso 1 1 calc R . .
H4B H 0.9037 0.2456 0.6880 0.091 Uiso 1 1 calc R . .
H4C H 0.9846 0.3225 0.8229 0.091 Uiso 1 1 calc R . .
C5 C 0.2545(8) 0.0882(7) 0.5816(7) 0.056(2) Uani 1 1 d . . .
H5A H 0.1998 0.0719 0.4955 0.068 Uiso 1 1 calc R . .
H5B H 0.1858 0.0474 0.6161 0.068 Uiso 1 1 calc R . .
C6 C 0.3254(9) 0.2362(7) 0.6335(7) 0.056(2) Uani 1 1 d . . .
C7 C 0.4152(11) 0.3080(7) 0.5657(8) 0.085(3) Uani 1 1 d . . .
H7A H 0.4959 0.2778 0.5769 0.127 Uiso 1 1 calc R . .
H7B H 0.4528 0.4035 0.5963 0.127 Uiso 1 1 calc R . .
H7C H 0.3527 0.2874 0.4817 0.127 Uiso 1 1 calc R . .
C8 C 0.2057(10) 0.2951(8) 0.6252(10) 0.087(3) Uani 1 1 d . . .
H8A H 0.1491 0.2917 0.5427 0.131 Uiso 1 1 calc R . .
H8B H 0.2514 0.3869 0.6694 0.131 Uiso 1 1 calc R . .
H8C H 0.1419 0.2436 0.6584 0.131 Uiso 1 1 calc R . .
C9 C 0.3030(8) -0.1239(6) 0.5838(6) 0.047(2) Uani 1 1 d . . .
H9A H 0.3799 -0.1603 0.5929 0.057 Uiso 1 1 calc R . .
H9B H 0.2325 -0.1559 0.5008 0.057 Uiso 1 1 calc R . .
C10 C 0.2253(10) -0.1816(6) 0.6617(6) 0.063(3) Uani 1 1 d . . .
H10 H 0.1399 -0.1539 0.6431 0.075 Uiso 1 1 calc R . .
C11 C 0.3095(10) -0.1377(6) 0.7882(6) 0.061(3) Uani 1 1 d . . .
H11A H 0.3395 -0.0407 0.8097 0.074 Uiso 1 1 calc R . .
H11B H 0.3982 -0.1588 0.8083 0.074 Uiso 1 1 calc R . .
C12 C 0.2273(9) -0.2011(6) 0.8652(6) 0.058(2) Uani 1 1 d . . .
H12 H 0.1461 -0.1688 0.8547 0.070 Uiso 1 1 calc R . .
C13 C 0.3365(8) -0.1517(6) 0.9924(6) 0.054(2) Uani 1 1 d . . .
H13A H 0.3767 -0.0543 1.0081 0.065 Uiso 1 1 calc R . .
H13B H 0.4169 -0.1827 1.0001 0.065 Uiso 1 1 calc R . .
C14 C 0.1634(11) -0.3564(6) 0.8221(7) 0.069(3) Uani 1 1 d . . .
H14A H 0.2437 -0.3899 0.8458 0.083 Uiso 1 1 calc R . .
H14B H 0.0996 -0.3949 0.8613 0.083 Uiso 1 1 calc R . .
C15 C 0.0813(12) -0.3996(7) 0.6946(8) 0.092(4) Uani 1 1 d . . .
H15A H -0.0080 -0.3794 0.6729 0.110 Uiso 1 1 calc R . .
H15B H 0.0525 -0.4964 0.6723 0.110 Uiso 1 1 calc R . .
C16 C 0.1658(10) -0.3342(6) 0.6226(7) 0.077(3) Uani 1 1 d . . .
H16A H 0.2470 -0.3651 0.6339 0.093 Uiso 1 1 calc R . .
H16B H 0.1009 -0.3611 0.5379 0.093 Uiso 1 1 calc R . .
H2N H 0.414(8) 0.045(6) 0.565(7) 0.06(2) Uiso 1 1 d . . .
H1N H 0.743(7) 0.277(6) 0.926(6) 0.05(2) Uiso 1 1 d . . .
O1S O 0.8301(8) 0.4952(7) 0.9304(8) 0.104(3) Uani 1 1 d . . .
N1S N 0.7050(10) 0.6335(7) 0.8750(7) 0.083(3) Uani 1 1 d . . .
C1S C 0.7436(19) 0.6568(13) 0.7774(12) 0.169(8) Uani 1 1 d . . .
H1S1 H 0.7624 0.5810 0.7481 0.253 Uiso 1 1 calc R . .
H1S2 H 0.8306 0.7361 0.8031 0.253 Uiso 1 1 calc R . .
H1S3 H 0.6641 0.6690 0.7144 0.253 Uiso 1 1 calc R . .
C2S C 0.6155(17) 0.6890(17) 0.900(2) 0.265(14) Uani 1 1 d . . .
H2S1 H 0.5888 0.6506 0.9608 0.398 Uiso 1 1 calc R . .
H2S2 H 0.5281 0.6712 0.8292 0.398 Uiso 1 1 calc R . .
H2S3 H 0.6662 0.7844 0.9296 0.398 Uiso 1 1 calc R . .
C3S C 0.7551(16) 0.5525(14) 0.9464(14) 0.139(6) Uani 1 1 d . . .
H3S H 0.7289 0.5415 1.0109 0.167 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
N2 Ni N1 174.51(19) . . ?
N2 Ni S1 88.37(17) . . ?
N1 Ni S1 92.33(17) . . ?
N2 Ni S2 91.83(17) . . ?
N1 Ni S2 88.79(16) . . ?
S1 Ni S2 166.18(7) . . ?
C6 S1 Ni 95.4(2) . . ?
C2 S2 Ni 95.4(2) . . ?
C1 N1 C13 109.4(6) . 2_657 ?
C1 N1 Ni 115.1(4) . . ?
C13 N1 Ni 109.3(4) 2_657 . ?
C1 N1 H1N 108(4) . . ?
C13 N1 H1N 104(4) 2_657 . ?
Ni N1 H1N 111(5) . . ?
C9 N2 C5 110.9(5) . . ?
C9 N2 Ni 117.1(4) . . ?
C5 N2 Ni 115.5(4) . . ?
C9 N2 H2N 109(5) . . ?
C5 N2 H2N 109(5) . . ?
Ni N2 H2N 94(5) . . ?
N1 C1 C2 110.1(6) . . ?
N1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
C1 C2 C3 108.5(7) . . ?
C1 C2 C4 109.9(5) . . ?
C3 C2 C4 109.5(6) . . ?
C1 C2 S2 105.4(4) . . ?
C3 C2 S2 110.7(5) . . ?
C4 C2 S2 112.8(6) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 N2 109.8(6) . . ?
C6 C5 H5A 109.7 . . ?
N2 C5 H5A 109.7 . . ?
C6 C5 H5B 109.7 . . ?
N2 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
C5 C6 C8 109.4(7) . . ?
C5 C6 C7 111.1(6) . . ?
C8 C6 C7 109.1(6) . . ?
C5 C6 S1 106.4(5) . . ?
C8 C6 S1 109.8(6) . . ?
C7 C6 S1 111.0(6) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C10 116.9(5) . . ?
N2 C9 H9A 108.1 . . ?
C10 C9 H9A 108.1 . . ?
N2 C9 H9B 108.1 . . ?
C10 C9 H9B 108.1 . . ?
H9A C9 H9B 107.3 . . ?
C11 C10 C9 116.1(7) . . ?
C11 C10 C16 111.5(6) . . ?
C9 C10 C16 108.0(5) . . ?
C11 C10 H10 106.9 . . ?
C9 C10 H10 106.9 . . ?
C16 C10 H10 106.9 . . ?
C10 C11 C12 114.7(7) . . ?
C10 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
C10 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C14 114.0(6) . . ?
C13 C12 C11 106.3(6) . . ?
C14 C12 C11 109.2(5) . . ?
C13 C12 H12 109.1 . . ?
C14 C12 H12 109.1 . . ?
C11 C12 H12 109.1 . . ?
C12 C13 N1 119.0(5) . 2_657 ?
C12 C13 H13A 107.6 . . ?
N1 C13 H13A 107.6 2_657 . ?
C12 C13 H13B 107.6 . . ?
N1 C13 H13B 107.6 2_657 . ?
H13A C13 H13B 107.0 . . ?
C15 C14 C12 112.6(6) . . ?
C15 C14 H14A 109.1 . . ?
C12 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C12 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 114.0(8) . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
C16 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C10 C16 C15 111.0(6) . . ?
C10 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 . . ?
C10 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C2S N1S C3S 117.5(14) . . ?
C2S N1S C1S 121.4(15) . . ?
C3S N1S C1S 121.0(11) . . ?
N1S C1S H1S1 109.5 . . ?
N1S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
N1S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
N1S C2S H2S1 109.5 . . ?
N1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
N1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
O1S C3S N1S 123.5(14) . . ?
O1S C3S H3S 118.3 . . ?
N1S C3S H3S 118.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni N2 1.936(6) . ?
Ni N1 1.945(6) . ?
Ni S1 2.201(2) . ?
Ni S2 2.2031(18) . ?
S1 C6 1.815(9) . ?
S2 C2 1.827(8) . ?
N1 C1 1.501(10) . ?
N1 C13 1.508(7) 2_657 ?
N1 H1N 0.87(6) . ?
N2 C9 1.493(7) . ?
N2 C5 1.510(9) . ?
N2 H2N 0.80(7) . ?
C1 C2 1.526(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.528(10) . ?
C2 C4 1.528(9) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.495(9) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C8 1.539(10) . ?
C6 C7 1.546(9) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.517(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.426(10) . ?
C10 C16 1.521(8) . ?
C10 H10 0.9800 . ?
C11 C12 1.558(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.489(10) . ?
C12 C14 1.551(8) . ?
C12 H12 0.9800 . ?
C13 N1 1.508(7) 2_657 ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.435(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.528(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
O1S C3S 1.187(16) . ?
N1S C2S 1.358(14) . ?
N1S C3S 1.366(18) . ?
N1S C1S 1.411(12) . ?
C1S H1S1 0.9600 . ?
C1S H1S2 0.9600 . ?
C1S H1S3 0.9600 . ?
C2S H2S1 0.9600 . ?
C2S H2S2 0.9600 . ?
C2S H2S3 0.9600 . ?
C3S H3S 0.9300 . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ni S1 C6 -25.1(3) . . . . ?
N1 Ni S1 C6 160.4(3) . . . . ?
S2 Ni S1 C6 66.0(4) . . . . ?
N2 Ni S2 C2 159.9(2) . . . . ?
N1 Ni S2 C2 -25.6(3) . . . . ?
S1 Ni S2 C2 69.2(4) . . . . ?
S1 Ni N1 C1 -164.9(4) . . . . ?
S2 Ni N1 C1 1.4(4) . . . . ?
S1 Ni N1 C13 71.6(4) . . . 2_657 ?
S2 Ni N1 C13 -122.2(4) . . . 2_657 ?
S1 Ni N2 C9 -131.9(4) . . . . ?
S2 Ni N2 C9 61.9(4) . . . . ?
S1 Ni N2 C5 1.5(4) . . . . ?
S2 Ni N2 C5 -164.7(4) . . . . ?
C13 N1 C1 C2 154.2(5) 2_657 . . . ?
Ni N1 C1 C2 30.6(6) . . . . ?
N1 C1 C2 C3 -171.1(6) . . . . ?
N1 C1 C2 C4 69.2(8) . . . . ?
N1 C1 C2 S2 -52.5(6) . . . . ?
Ni S2 C2 C1 46.9(4) . . . . ?
Ni S2 C2 C3 164.0(5) . . . . ?
Ni S2 C2 C4 -73.0(4) . . . . ?
C9 N2 C5 C6 166.3(5) . . . . ?
Ni N2 C5 C6 30.1(6) . . . . ?
N2 C5 C6 C8 -170.6(6) . . . . ?
N2 C5 C6 C7 68.9(8) . . . . ?
N2 C5 C6 S1 -52.0(6) . . . . ?
Ni S1 C6 C5 46.8(4) . . . . ?
Ni S1 C6 C8 165.2(5) . . . . ?
Ni S1 C6 C7 -74.1(5) . . . . ?
C5 N2 C9 C10 -64.4(8) . . . . ?
Ni N2 C9 C10 71.1(7) . . . . ?
N2 C9 C10 C11 -53.7(9) . . . . ?
N2 C9 C10 C16 -179.7(7) . . . . ?
C9 C10 C11 C12 -178.8(6) . . . . ?
C16 C10 C11 C12 -54.6(9) . . . . ?
C10 C11 C12 C13 175.5(7) . . . . ?
C10 C11 C12 C14 52.1(9) . . . . ?
C14 C12 C13 N1 -63.1(9) . . . 2_657 ?
C11 C12 C13 N1 176.6(6) . . . 2_657 ?
C13 C12 C14 C15 -168.7(8) . . . . ?
C11 C12 C14 C15 -50.0(11) . . . . ?
C12 C14 C15 C16 53.0(12) . . . . ?
C11 C10 C16 C15 53.2(11) . . . . ?
C9 C10 C16 C15 -178.1(8) . . . . ?
C14 C15 C16 C10 -53.6(11) . . . . ?
C2S N1S C3S O1S 177.6(12) . . . . ?
C1S N1S C3S O1S -1.5(19) . . . . ?
