# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AX1675
_database_code_depnum_ccdc_archive 'CCDC 1893578'
loop_
_audit_author_name
_audit_author_address
'Anke Spannenberg'
;LIKAT
Germany
;
_audit_update_record             
;
2019-01-25 deposited with the CCDC.	2019-09-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H38 Ni P2 S3'
_chemical_formula_weight         555.38

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.1685(9)
_cell_length_b                   9.1638(3)
_cell_length_c                   20.4900(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.7342(11)
_cell_angle_gamma                90
_cell_volume                     5452.4(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9078
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      30.44

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_F_000             2352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.354
_exptl_crystal_size_mid          0.231
_exptl_crystal_size_min          0.137
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            63008
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.402
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6581
_reflns_number_gt                5819
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+5.2935P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6581
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0266
_refine_ls_wR_factor_ref         0.0698
_refine_ls_wR_factor_gt          0.0661
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.91389(5) -0.17718(14) 1.05046(7) 0.0185(3) Uani 1 1 d . . . . .
C2 C 0.94410(5) -0.28500(15) 1.03793(7) 0.0206(3) Uani 1 1 d . . . . .
C3 C 0.97434(5) -0.36606(16) 1.08867(8) 0.0246(3) Uani 1 1 d . . . . .
H3 H 0.9940 -0.4364 1.0770 0.030 Uiso 1 1 calc R U . . .
C4 C 0.97555(5) -0.34374(17) 1.15569(8) 0.0272(3) Uani 1 1 d . . . . .
H4 H 0.9963 -0.3977 1.1905 0.033 Uiso 1 1 calc R U . . .
C5 C 0.94635(5) -0.24230(17) 1.17192(7) 0.0255(3) Uani 1 1 d . . . . .
H5 H 0.9469 -0.2263 1.2179 0.031 Uiso 1 1 calc R U . . .
C6 C 0.91605(5) -0.16338(15) 1.12038(7) 0.0202(3) Uani 1 1 d . . . . .
C7 C 0.93108(5) -0.07416(17) 0.85367(8) 0.0246(3) Uani 1 1 d . . . . .
H7 H 0.9097 -0.0025 0.8243 0.030 Uiso 1 1 calc R U . . .
C8 C 0.95031(6) -0.1726(2) 0.80750(9) 0.0335(4) Uani 1 1 d . . . . .
H8A H 0.9677 -0.1135 0.7832 0.050 Uiso 1 1 calc R U . . .
H8B H 0.9248 -0.2213 0.7747 0.050 Uiso 1 1 calc R U . . .
H8C H 0.9707 -0.2461 0.8350 0.050 Uiso 1 1 calc R U . . .
C9 C 0.96971(6) 0.0120(2) 0.90216(9) 0.0367(4) Uani 1 1 d . . . . .
H9A H 0.9918 -0.0559 0.9306 0.055 Uiso 1 1 calc R U . . .
H9B H 0.9566 0.0746 0.9310 0.055 Uiso 1 1 calc R U . . .
H9C H 0.9855 0.0726 0.8759 0.055 Uiso 1 1 calc R U . . .
C10 C 0.85740(5) -0.29007(16) 0.84202(7) 0.0236(3) Uani 1 1 d . . . . .
H10 H 0.8757 -0.3652 0.8253 0.028 Uiso 1 1 calc R U . . .
C11 C 0.82909(6) -0.20628(18) 0.78037(8) 0.0292(3) Uani 1 1 d . . . . .
H11A H 0.8094 -0.2745 0.7484 0.044 Uiso 1 1 calc R U . . .
H11B H 0.8498 -0.1566 0.7582 0.044 Uiso 1 1 calc R U . . .
H11C H 0.8098 -0.1339 0.7949 0.044 Uiso 1 1 calc R U . . .
C12 C 0.82617(6) -0.37062(19) 0.87754(9) 0.0358(4) Uani 1 1 d . . . . .
H12A H 0.8064 -0.3002 0.8923 0.054 Uiso 1 1 calc R U . . .
H12B H 0.8451 -0.4228 0.9171 0.054 Uiso 1 1 calc R U . . .
H12C H 0.8069 -0.4405 0.8460 0.054 Uiso 1 1 calc R U . . .
C13 C 0.78899(5) 0.06593(15) 1.04826(7) 0.0207(3) Uani 1 1 d . . . . .
H13 H 0.7746 0.1300 1.0087 0.025 Uiso 1 1 calc R U . . .
C14 C 0.77729(5) 0.13032(18) 1.11021(8) 0.0278(3) Uani 1 1 d . . . . .
H14A H 0.7438 0.1366 1.1016 0.042 Uiso 1 1 calc R U . . .
H14B H 0.7907 0.2281 1.1192 0.042 Uiso 1 1 calc R U . . .
H14C H 0.7899 0.0676 1.1496 0.042 Uiso 1 1 calc R U . . .
C15 C 0.76882(6) -0.08640(18) 1.03195(8) 0.0291(3) Uani 1 1 d . . . . .
H15A H 0.7828 -0.1525 1.0695 0.044 Uiso 1 1 calc R U . . .
H15B H 0.7753 -0.1219 0.9903 0.044 Uiso 1 1 calc R U . . .
H15C H 0.7354 -0.0828 1.0255 0.044 Uiso 1 1 calc R U . . .
C16 C 0.87326(5) 0.24690(16) 1.07486(8) 0.0245(3) Uani 1 1 d . . . . .
H16 H 0.8696 0.2740 1.1204 0.029 Uiso 1 1 calc R U . . .
C17 C 0.84727(6) 0.35961(17) 1.02416(9) 0.0333(4) Uani 1 1 d . . . . .
H17A H 0.8613 0.4559 1.0361 0.050 Uiso 1 1 calc R U . . .
H17B H 0.8150 0.3626 1.0253 0.050 Uiso 1 1 calc R U . . .
H17C H 0.8488 0.3329 0.9785 0.050 Uiso 1 1 calc R U . . .
C18 C 0.92475(6) 0.2482(2) 1.07985(11) 0.0430(5) Uani 1 1 d . . . . .
H18A H 0.9293 0.2277 1.0352 0.064 Uiso 1 1 calc R U . . .
H18B H 0.9404 0.1734 1.1121 0.064 Uiso 1 1 calc R U . . .
H18C H 0.9376 0.3443 1.0954 0.064 Uiso 1 1 calc R U . . .
C19 C 0.83075(5) 0.16573(16) 0.84272(7) 0.0243(3) Uani 1 1 d . . . . .
C20 C 0.87146(6) 0.24369(18) 0.85155(8) 0.0296(3) Uani 1 1 d . . . . .
H20 H 0.8951 0.2349 0.8928 0.036 Uiso 1 1 calc R U . . .
C21 C 0.87795(7) 0.33480(18) 0.80032(9) 0.0352(4) Uani 1 1 d . . . . .
H21 H 0.9064 0.3851 0.8068 0.042 Uiso 1 1 calc R U . . .
C22 C 0.84374(7) 0.35340(19) 0.74009(9) 0.0375(4) Uani 1 1 d . . . . .
C23 C 0.80307(7) 0.2774(2) 0.73191(8) 0.0371(4) Uani 1 1 d . . . . .
H23 H 0.7791 0.2896 0.6913 0.044 Uiso 1 1 calc R U . . .
C24 C 0.79648(6) 0.18366(19) 0.78157(8) 0.0311(3) Uani 1 1 d . . . . .
H24 H 0.7684 0.1310 0.7741 0.037 Uiso 1 1 calc R U . . .
C25 C 0.85037(9) 0.4524(2) 0.68466(11) 0.0544(6) Uani 1 1 d . . . . .
H25A H 0.8761 0.5189 0.7033 0.082 Uiso 1 1 calc R U . . .
H25B H 0.8222 0.5091 0.6661 0.082 Uiso 1 1 calc R U . . .
H25C H 0.8571 0.3935 0.6486 0.082 Uiso 1 1 calc R U . . .
Ni1 Ni 0.87397(2) -0.06006(2) 0.97993(2) 0.01688(6) Uani 1 1 d . . . . .
P1 P 0.89839(2) -0.17430(4) 0.90332(2) 0.01942(8) Uani 1 1 d . . . . .
P2 P 0.85122(2) 0.05893(4) 1.05602(2) 0.01731(8) Uani 1 1 d . . . . .
S1 S 0.94595(2) -0.33008(5) 0.95478(2) 0.03258(10) Uani 1 1 d . . . . .
S2 S 0.87841(2) -0.04603(4) 1.14897(2) 0.02571(9) Uani 1 1 d . . . . .
S3 S 0.81713(2) 0.05618(4) 0.90539(2) 0.02526(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C2 1.4142(19) . ?
C1 C6 1.4219(19) . ?
C1 Ni1 1.9356(13) . ?
C2 C3 1.3967(19) . ?
C2 S1 1.7686(14) . ?
C3 C4 1.379(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.3964(19) . ?
C5 H5 0.9500 . ?
C6 S2 1.7747(14) . ?
C7 C9 1.530(2) . ?
C7 C8 1.531(2) . ?
C7 P1 1.8423(15) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.526(2) . ?
C10 C12 1.528(2) . ?
C10 P1 1.8413(15) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.523(2) . ?
C13 C14 1.526(2) . ?
C13 P2 1.8416(15) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.523(2) . ?
C16 C18 1.529(2) . ?
C16 P2 1.8490(15) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.389(2) . ?
C19 C24 1.401(2) . ?
C19 S3 1.7641(15) . ?
C20 C21 1.396(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(3) . ?
C22 C25 1.509(2) . ?
C23 C24 1.386(2) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
Ni1 P2 2.1613(4) . ?
Ni1 P1 2.1749(4) . ?
Ni1 S3 2.2334(4) . ?
P1 S1 2.0946(5) . ?
P2 S2 2.0923(5) . ?

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
C2 C1 C6 112.91(12) . . ?
C2 C1 Ni1 123.56(10) . . ?
C6 C1 Ni1 123.52(10) . . ?
C3 C2 C1 124.02(13) . . ?
C3 C2 S1 114.08(11) . . ?
C1 C2 S1 121.90(10) . . ?
C4 C3 C2 119.86(14) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 119.53(14) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 119.72(14) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 123.89(13) . . ?
C5 C6 S2 114.23(11) . . ?
C1 C6 S2 121.85(10) . . ?
C9 C7 C8 110.86(13) . . ?
C9 C7 P1 109.03(11) . . ?
C8 C7 P1 113.39(11) . . ?
C9 C7 H7 107.8 . . ?
C8 C7 H7 107.8 . . ?
P1 C7 H7 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C12 111.00(13) . . ?
C11 C10 P1 113.35(11) . . ?
C12 C10 P1 109.89(11) . . ?
C11 C10 H10 107.4 . . ?
C12 C10 H10 107.4 . . ?
P1 C10 H10 107.4 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C14 111.60(13) . . ?
C15 C13 P2 108.93(10) . . ?
C14 C13 P2 113.71(10) . . ?
C15 C13 H13 107.4 . . ?
C14 C13 H13 107.4 . . ?
P2 C13 H13 107.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 111.49(14) . . ?
C17 C16 P2 113.58(11) . . ?
C18 C16 P2 108.80(11) . . ?
C17 C16 H16 107.6 . . ?
C18 C16 H16 107.6 . . ?
P2 C16 H16 107.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 117.90(14) . . ?
C20 C19 S3 124.75(12) . . ?
C24 C19 S3 117.16(13) . . ?
C19 C20 C21 120.59(16) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 121.33(17) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C23 C22 C21 117.90(16) . . ?
C23 C22 C25 120.45(18) . . ?
C21 C22 C25 121.7(2) . . ?
C22 C23 C24 121.53(16) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C19 120.73(17) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C1 Ni1 P2 89.78(4) . . ?
C1 Ni1 P1 90.46(4) . . ?
P2 Ni1 P1 178.194(17) . . ?
C1 Ni1 S3 169.09(4) . . ?
P2 Ni1 S3 85.272(15) . . ?
P1 Ni1 S3 94.792(15) . . ?
C10 P1 C7 105.74(7) . . ?
C10 P1 S1 101.09(5) . . ?
C7 P1 S1 102.78(5) . . ?
C10 P1 Ni1 118.25(5) . . ?
C7 P1 Ni1 119.72(5) . . ?
S1 P1 Ni1 106.535(19) . . ?
C13 P2 C16 106.61(7) . . ?
C13 P2 S2 103.51(5) . . ?
C16 P2 S2 102.02(5) . . ?
C13 P2 Ni1 118.09(5) . . ?
C16 P2 Ni1 117.00(5) . . ?
S2 P2 Ni1 107.569(19) . . ?
C2 S1 P1 97.44(5) . . ?
C6 S2 P2 96.10(5) . . ?
C19 S3 Ni1 118.81(5) . . ?

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
C6 C1 C2 C3 -2.4(2) . . . . ?
Ni1 C1 C2 C3 177.36(12) . . . . ?
C6 C1 C2 S1 176.77(10) . . . . ?
Ni1 C1 C2 S1 -3.48(18) . . . . ?
C1 C2 C3 C4 0.6(2) . . . . ?
S1 C2 C3 C4 -178.58(12) . . . . ?
C2 C3 C4 C5 0.7(2) . . . . ?
C3 C4 C5 C6 -0.1(2) . . . . ?
C4 C5 C6 C1 -1.9(2) . . . . ?
C4 C5 C6 S2 176.24(12) . . . . ?
C2 C1 C6 C5 3.0(2) . . . . ?
Ni1 C1 C6 C5 -176.72(12) . . . . ?
C2 C1 C6 S2 -174.99(10) . . . . ?
Ni1 C1 C6 S2 5.26(17) . . . . ?
C24 C19 C20 C21 -1.1(2) . . . . ?
S3 C19 C20 C21 -175.95(12) . . . . ?
C19 C20 C21 C22 1.8(2) . . . . ?
C20 C21 C22 C23 -0.8(2) . . . . ?
C20 C21 C22 C25 179.61(16) . . . . ?
C21 C22 C23 C24 -0.8(3) . . . . ?
C25 C22 C23 C24 178.77(17) . . . . ?
C22 C23 C24 C19 1.5(3) . . . . ?
C20 C19 C24 C23 -0.5(2) . . . . ?
S3 C19 C24 C23 174.74(13) . . . . ?
C11 C10 P1 C7 -51.34(13) . . . . ?
C12 C10 P1 C7 -176.19(11) . . . . ?
C11 C10 P1 S1 -158.17(10) . . . . ?
C12 C10 P1 S1 76.98(11) . . . . ?
C11 C10 P1 Ni1 86.07(11) . . . . ?
C12 C10 P1 Ni1 -38.78(13) . . . . ?
C9 C7 P1 C10 -173.67(11) . . . . ?
C8 C7 P1 C10 -49.65(13) . . . . ?
C9 C7 P1 S1 -68.07(11) . . . . ?
C8 C7 P1 S1 55.95(11) . . . . ?
C9 C7 P1 Ni1 49.68(13) . . . . ?
C8 C7 P1 Ni1 173.70(9) . . . . ?
C15 C13 P2 C16 179.42(10) . . . . ?
C14 C13 P2 C16 -55.44(12) . . . . ?
C15 C13 P2 S2 -73.41(10) . . . . ?
C14 C13 P2 S2 51.73(11) . . . . ?
C15 C13 P2 Ni1 45.28(12) . . . . ?
C14 C13 P2 Ni1 170.42(9) . . . . ?
C17 C16 P2 C13 -53.60(13) . . . . ?
C18 C16 P2 C13 -178.41(12) . . . . ?
C17 C16 P2 S2 -161.82(11) . . . . ?
C18 C16 P2 S2 73.37(12) . . . . ?
C17 C16 P2 Ni1 81.12(12) . . . . ?
C18 C16 P2 Ni1 -43.69(13) . . . . ?
C3 C2 S1 P1 -177.36(11) . . . . ?
C1 C2 S1 P1 3.40(13) . . . . ?
C5 C6 S2 P2 171.79(11) . . . . ?
C1 C6 S2 P2 -10.01(12) . . . . ?
C20 C19 S3 Ni1 -32.65(15) . . . . ?
C24 C19 S3 Ni1 152.43(10) . . . . ?

_refine_diff_density_max         0.541
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.056

