#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179856 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/52/7015237.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_7015237
loop_
_publ_author_name
'Babashkina, Maria G.'
'Safin, Damir A.'
'Bolte, Michael'
'Srebro, Monika'
'Mitoraj, Mariusz'
'Uthe, André'
'Klein, Axel'
'Köckerling, Martin'
_publ_section_title
;
 Intramolecular hydrogen bonding controls 1,3-N,S- vs.
 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated
 thioureas RNHC(S)NHP(S)(OiPr)2.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3142
_journal_page_last               3153
_journal_paper_doi               10.1039/c0dt01382j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C32 H52 N4 Ni O4 P2 S4'
_chemical_formula_sum            'C32 H52 N4 Ni O4 P2 S4'
_chemical_formula_weight         805.67
_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                97.788(5)
_cell_angle_beta                 102.023(5)
_cell_angle_gamma                111.808(4)
_cell_formula_units_Z            1
_cell_length_a                   9.2223(5)
_cell_length_b                   10.4480(6)
_cell_length_c                   11.6919(7)
_cell_measurement_reflns_used    14716
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      3.5
_cell_volume                     994.49(11)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008) '
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008) '
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_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  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15144
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         3.47
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.817
_exptl_absorpt_correction_T_max  0.8407
_exptl_absorpt_correction_T_min  0.8035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003; Blessing, 1995)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             426
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         4039
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0356
_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)+(0.0434P)²+0.5370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                3691
_reflns_number_total             4039
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0dt01382j.txt
_cod_data_source_block           safin39
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        994.49(10)
_cod_database_code               7015237
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
Ni1 Ni 0.5000 0.5000 0.0000 0.01947(10) Uani 1 2 d S . .
P1 P 0.73834(6) 0.41353(5) 0.19399(4) 0.02342(12) Uani 1 1 d . . .
S1 S 0.82684(8) 0.44938(6) 0.36709(5) 0.03883(15) Uani 1 1 d . . .
S2 S 0.53570(6) 0.69819(5) 0.12163(5) 0.02818(13) Uani 1 1 d . . .
N1 N 0.6504(2) 0.51633(17) 0.14741(14) 0.0231(3) Uani 1 1 d . . .
N2 N 0.7688(2) 0.71692(18) 0.31376(15) 0.0265(4) Uani 1 1 d D . .
H2 H 0.822(3) 0.674(3) 0.352(2) 0.046(8) Uiso 1 1 d D . .
O1 O 0.61080(17) 0.25601(14) 0.13371(13) 0.0254(3) Uani 1 1 d . A .
O2 O 0.86497(18) 0.42986(15) 0.11937(14) 0.0302(3) Uani 1 1 d . . .
C1 C 0.6661(2) 0.6425(2) 0.20652(17) 0.0226(4) Uani 1 1 d . . .
C2 C 0.4947(3) 0.1716(2) 0.1915(2) 0.0346(5) Uani 1 1 d . . .
H2A H 0.5496 0.2126 0.2795 0.042 Uiso 0.473(13) 1 calc PR A 1
H2B H 0.5199 0.2160 0.2786 0.042 Uiso 0.527(13) 1 calc PR A 2
C3 C 0.3558(8) 0.1981(8) 0.1723(8) 0.049(2) Uiso 0.473(13) 1 d P A 1
H3A H 0.3870 0.3005 0.1839 0.073 Uiso 0.473(13) 1 calc PR A 1
H3B H 0.2957 0.1627 0.2295 0.073 Uiso 0.473(13) 1 calc PR A 1
H3C H 0.2867 0.1500 0.0900 0.073 Uiso 0.473(13) 1 calc PR A 1
C3' C 0.3164(7) 0.1503(6) 0.1138(6) 0.0438(17) Uiso 0.527(13) 1 d P A 2
H3'1 H 0.3086 0.2420 0.1232 0.066 Uiso 0.527(13) 1 calc PR A 2
H3'2 H 0.2325 0.0845 0.1426 0.066 Uiso 0.527(13) 1 calc PR A 2
H3'3 H 0.3002 0.1116 0.0287 0.066 Uiso 0.527(13) 1 calc PR A 2
C4 C 0.4931(3) 0.0273(3) 0.1713(3) 0.0465(6) Uani 1 1 d . A .
H4A H 0.6020 0.0337 0.2080 0.070 Uiso 1 1 calc R . .
H4B H 0.4610 -0.0138 0.0847 0.070 Uiso 1 1 calc R . .
H4C H 0.4151 -0.0329 0.2079 0.070 Uiso 1 1 calc R . .
C5 C 0.9621(3) 0.3447(2) 0.1300(2) 0.0374(5) Uani 1 1 d . . .
H5 H 0.9160 0.2695 0.1730 0.045 Uiso 1 1 calc R . .
C6 C 1.1337(4) 0.4425(4) 0.2018(4) 0.0826(13) Uani 1 1 d . . .
H6A H 1.1343 0.4832 0.2825 0.124 Uiso 1 1 calc R . .
H6B H 1.1771 0.5189 0.1616 0.124 Uiso 1 1 calc R . .
H6C H 1.2016 0.3891 0.2080 0.124 Uiso 1 1 calc R . .
C7 C 0.9488(4) 0.2765(3) 0.0044(3) 0.0508(7) Uani 1 1 d . . .
H7A H 0.8349 0.2133 -0.0370 0.076 Uiso 1 1 calc R . .
H7B H 1.0150 0.2216 0.0076 0.076 Uiso 1 1 calc R . .
H7C H 0.9878 0.3501 -0.0394 0.076 Uiso 1 1 calc R . .
C11 C 0.7630(2) 0.8408(2) 0.37932(17) 0.0253(4) Uani 1 1 d . . .
C12 C 0.8489(2) 0.9746(2) 0.36139(18) 0.0276(4) Uani 1 1 d . . .
C13 C 0.8470(3) 1.0916(2) 0.43257(19) 0.0290(4) Uani 1 1 d . . .
H13 H 0.9056 1.1835 0.4220 0.035 Uiso 1 1 calc R . .
C14 C 0.7623(3) 1.0784(2) 0.51843(19) 0.0321(5) Uani 1 1 d . . .
C15 C 0.6743(3) 0.9428(2) 0.5313(2) 0.0353(5) Uani 1 1 d . . .
H15 H 0.6130 0.9323 0.5881 0.042 Uiso 1 1 calc R . .
C16 C 0.6738(3) 0.8229(2) 0.46353(19) 0.0314(4) Uani 1 1 d . . .
C17 C 0.9402(3) 0.9928(3) 0.2675(2) 0.0387(5) Uani 1 1 d . . .
H17A H 0.8632 0.9675 0.1878 0.058 Uiso 1 1 calc R . .
H17B H 0.9982 0.9309 0.2692 0.058 Uiso 1 1 calc R . .
H17C H 1.0186 1.0917 0.2844 0.058 Uiso 1 1 calc R . .
C18 C 0.7680(3) 1.2073(2) 0.5985(2) 0.0424(6) Uani 1 1 d . . .
H18A H 0.8588 1.2389 0.6716 0.064 Uiso 1 1 calc R . .
H18B H 0.6656 1.1831 0.6204 0.064 Uiso 1 1 calc R . .
H18C H 0.7831 1.2835 0.5556 0.064 Uiso 1 1 calc R . .
C19 C 0.5804(4) 0.6764(2) 0.4798(3) 0.0458(6) Uani 1 1 d . . .
H19A H 0.5174 0.6828 0.5366 0.069 Uiso 1 1 calc R . .
H19B H 0.6570 0.6364 0.5113 0.069 Uiso 1 1 calc R . .
H19C H 0.5064 0.6151 0.4021 0.069 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'
Ni Ni 0.3393 1.1124 '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'
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'
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
N1 Ni1 N1 179.999(2) . 2_665 ?
N1 Ni1 S2 105.39(5) . 2_665 ?
N1 Ni1 S2 74.61(5) 2_665 2_665 ?
N1 Ni1 S2 74.61(5) . . ?
N1 Ni1 S2 105.39(5) 2_665 . ?
S2 Ni1 S2 180.0 2_665 . ?
N1 Ni1 C1 147.64(6) . 2_665 ?
N1 Ni1 C1 32.36(6) 2_665 2_665 ?
S2 Ni1 C1 42.34(4) 2_665 2_665 ?
S2 Ni1 C1 137.66(4) . 2_665 ?
N1 Ni1 C1 32.36(6) . . ?
N1 Ni1 C1 147.64(6) 2_665 . ?
S2 Ni1 C1 137.66(4) 2_665 . ?
S2 Ni1 C1 42.34(4) . . ?
C1 Ni1 C1 180.0 2_665 . ?
O2 P1 O1 100.96(8) . . ?
O2 P1 N1 102.88(8) . . ?
O1 P1 N1 106.21(8) . . ?
O2 P1 S1 115.36(7) . . ?
O1 P1 S1 113.77(6) . . ?
N1 P1 S1 115.97(6) . . ?
C1 S2 Ni1 77.22(7) . . ?
C1 N1 P1 128.80(14) . . ?
C1 N1 Ni1 97.88(12) . . ?
P1 N1 Ni1 133.32(10) . . ?
C1 N2 C11 122.97(16) . . ?
C1 N2 H2 116(2) . . ?
C11 N2 H2 119(2) . . ?
C2 O1 P1 123.35(13) . . ?
C5 O2 P1 119.38(14) . . ?
N2 C1 N1 126.10(17) . . ?
N2 C1 S2 123.85(15) . . ?
N1 C1 S2 110.03(14) . . ?
N2 C1 Ni1 173.66(15) . . ?
N1 C1 Ni1 49.76(9) . . ?
S2 C1 Ni1 60.44(6) . . ?
C3 C2 O1 111.4(3) . . ?
C3 C2 C4 124.2(4) . . ?
O1 C2 C4 107.14(18) . . ?
O1 C2 C3' 106.0(2) . . ?
C4 C2 C3' 105.0(3) . . ?
C3 C2 H2A 104.0 . . ?
O1 C2 H2A 104.0 . . ?
C4 C2 H2A 104.0 . . ?
C3' C2 H2A 129.2 . . ?
O1 C2 H2B 112.7 . . ?
C4 C2 H2B 112.7 . . ?
C3' C2 H2B 112.7 . . ?
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 C3' H3'1 109.5 . . ?
C2 C3' H3'2 109.5 . . ?
H3'1 C3' H3'2 109.5 . . ?
C2 C3' H3'3 109.5 . . ?
H3'1 C3' H3'3 109.5 . . ?
H3'2 C3' H3'3 109.5 . . ?
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 . . ?
O2 C5 C7 107.0(2) . . ?
O2 C5 C6 107.8(2) . . ?
C7 C5 C6 113.5(3) . . ?
O2 C5 H5 109.5 . . ?
C7 C5 H5 109.5 . . ?
C6 C5 H5 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C12 C11 C16 121.74(19) . . ?
C12 C11 N2 120.42(19) . . ?
C16 C11 N2 117.80(18) . . ?
C13 C12 C11 117.92(19) . . ?
C13 C12 C17 120.59(19) . . ?
C11 C12 C17 121.49(19) . . ?
C14 C13 C12 122.01(19) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C13 C14 C15 118.4(2) . . ?
C13 C14 C18 121.1(2) . . ?
C15 C14 C18 120.5(2) . . ?
C16 C15 C14 121.8(2) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C15 C16 C11 118.1(2) . . ?
C15 C16 C19 121.4(2) . . ?
C11 C16 C19 120.50(19) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
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
Ni1 N1 1.9162(16) . ?
Ni1 N1 1.9162(16) 2_665 ?
Ni1 S2 2.2178(5) 2_665 ?
Ni1 S2 2.2178(5) . ?
Ni1 C1 2.4866(19) 2_665 ?
Ni1 C1 2.4866(19) . ?
P1 O2 1.5719(15) . ?
P1 O1 1.5782(15) . ?
P1 N1 1.6521(16) . ?
P1 S1 1.9447(8) . ?
S2 C1 1.7174(19) . ?
N1 C1 1.344(2) . ?
N2 C1 1.330(3) . ?
N2 C11 1.437(2) . ?
N2 H2 0.871(10) . ?
O1 C2 1.464(2) . ?
O2 C5 1.478(2) . ?
C2 C3 1.389(7) . ?
C2 C4 1.487(3) . ?
C2 C3' 1.622(6) . ?
C2 H2A 1.0000 . ?
C2 H2B 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3' H3'1 0.9800 . ?
C3' H3'2 0.9800 . ?
C3' H3'3 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C7 1.502(4) . ?
C5 C6 1.506(4) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C11 C12 1.397(3) . ?
C11 C16 1.398(3) . ?
C12 C13 1.391(3) . ?
C12 C17 1.508(3) . ?
C13 C14 1.386(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(3) . ?
C14 C18 1.509(3) . ?
C15 C16 1.387(3) . ?
C15 H15 0.9500 . ?
C16 C19 1.513(3) . ?
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 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 S1 0.871(10) 2.399(19) 3.1520(18) 145(3) .
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
N1 Ni1 S2 C1 2.85(9) . . . . ?
N1 Ni1 S2 C1 -177.15(9) 2_665 . . . ?
C1 Ni1 S2 C1 180.0 2_665 . . . ?
O2 P1 N1 C1 -108.05(18) . . . . ?
O1 P1 N1 C1 146.31(17) . . . . ?
S1 P1 N1 C1 18.8(2) . . . . ?
O2 P1 N1 Ni1 71.89(15) . . . . ?
O1 P1 N1 Ni1 -33.75(15) . . . . ?
S1 P1 N1 Ni1 -161.23(10) . . . . ?
S2 Ni1 N1 C1 176.42(11) 2_665 . . . ?
S2 Ni1 N1 C1 -3.58(11) . . . . ?
S2 Ni1 N1 P1 -3.54(14) 2_665 . . . ?
S2 Ni1 N1 P1 176.46(14) . . . . ?
O2 P1 O1 C2 160.44(16) . . . . ?
N1 P1 O1 C2 -92.55(17) . . . . ?
S1 P1 O1 C2 36.24(17) . . . . ?
O1 P1 O2 C5 -66.23(16) . . . . ?
N1 P1 O2 C5 -175.86(15) . . . . ?
S1 P1 O2 C5 56.87(17) . . . . ?
C11 N2 C1 N1 -170.74(19) . . . . ?
C11 N2 C1 S2 10.8(3) . . . . ?
P1 N1 C1 N2 6.1(3) . . . . ?
Ni1 N1 C1 N2 -173.88(18) . . . . ?
P1 N1 C1 S2 -175.29(11) . . . . ?
Ni1 N1 C1 S2 4.75(14) . . . . ?
P1 N1 C1 Ni1 180.0(2) . . . . ?
Ni1 S2 C1 N2 174.50(18) . . . . ?
Ni1 S2 C1 N1 -4.17(13) . . . . ?
P1 O1 C2 C3 84.6(4) . . . . ?
P1 O1 C2 C4 -136.54(18) . . . . ?
P1 O1 C2 C3' 111.7(3) . . . . ?
P1 O2 C5 C7 130.54(18) . . . . ?
P1 O2 C5 C6 -107.1(3) . . . . ?
C1 N2 C11 C12 -88.4(3) . . . . ?
C1 N2 C11 C16 93.7(2) . . . . ?
C16 C11 C12 C13 1.7(3) . . . . ?
N2 C11 C12 C13 -176.11(18) . . . . ?
C16 C11 C12 C17 -177.9(2) . . . . ?
N2 C11 C12 C17 4.3(3) . . . . ?
C11 C12 C13 C14 -0.6(3) . . . . ?
C17 C12 C13 C14 179.0(2) . . . . ?
C12 C13 C14 C15 -1.2(3) . . . . ?
C12 C13 C14 C18 177.3(2) . . . . ?
C13 C14 C15 C16 2.0(4) . . . . ?
C18 C14 C15 C16 -176.5(2) . . . . ?
C14 C15 C16 C11 -0.9(4) . . . . ?
C14 C15 C16 C19 178.8(2) . . . . ?
C12 C11 C16 C15 -1.0(3) . . . . ?
N2 C11 C16 C15 176.9(2) . . . . ?
C12 C11 C16 C19 179.3(2) . . . . ?
N2 C11 C16 C19 -2.8(3) . . . . ?
