#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:39:45 +0100 (vie 25 de mar de 2016) $
#$Revision: 179856 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/52/7015232.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_7015232
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         'C30 H48 N4 Ni O4 P2 S4'
_chemical_formula_sum            'C30 H48 N4 Ni O4 P2 S4'
_chemical_formula_weight         777.61
_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                116.961(7)
_cell_angle_beta                 92.299(8)
_cell_angle_gamma                106.498(8)
_cell_formula_units_Z            1
_cell_length_a                   10.3417(10)
_cell_length_b                   10.4409(10)
_cell_length_c                   10.6637(10)
_cell_measurement_reflns_used    9086
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      3.7
_cell_volume                     964.63(19)
_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 0.996
_diffrn_measured_fraction_theta_max 0.987
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9493
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.63
_diffrn_reflns_theta_min         3.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.840
_exptl_absorpt_correction_T_max  0.8239
_exptl_absorpt_correction_T_min  0.7519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003; Blessing, 1995)'
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             410
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.903
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       0.025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         3597
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0375
_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)+(0.0538P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                2805
_reflns_number_total             3597
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0dt01382j.txt
_cod_data_source_block           safin32
_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_database_code               7015232
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 0.0000 0.5000 0.02753(16) Uani 1 2 d S . .
P1 P 0.72243(8) 0.25804(10) 0.79315(7) 0.0391(2) Uani 1 1 d . . .
N1 N 0.6397(2) 0.1897(2) 0.62937(19) 0.0307(5) Uani 1 1 d . A .
C1 C 0.6665(3) 0.2465(3) 0.5390(2) 0.0264(5) Uani 1 1 d . . .
S1 S 0.55304(7) 0.12509(7) 0.37713(6) 0.03177(18) Uani 1 1 d . A .
N2 N 0.7656(2) 0.3729(2) 0.5658(2) 0.0296(5) Uani 1 1 d . A .
H2 H 0.809(3) 0.422(4) 0.647(3) 0.053(10) Uiso 1 1 d . . .
C11 C 0.7788(3) 0.4366(2) 0.4709(2) 0.0259(5) Uani 1 1 d . . .
C12 C 0.8452(3) 0.3821(3) 0.3568(2) 0.0318(6) Uani 1 1 d . A .
C13 C 0.8561(3) 0.4487(3) 0.2680(3) 0.0448(8) Uani 1 1 d . . .
H13 H 0.9001 0.4136 0.1885 0.054 Uiso 1 1 calc R A .
C14 C 0.8044(3) 0.5637(3) 0.2936(3) 0.0508(9) Uani 1 1 d . A .
H14 H 0.8125 0.6070 0.2316 0.061 Uiso 1 1 calc R . .
C15 C 0.7410(3) 0.6166(3) 0.4080(3) 0.0453(7) Uani 1 1 d . . .
H15 H 0.7060 0.6966 0.4249 0.054 Uiso 1 1 calc R A .
C16 C 0.7275(3) 0.5540(3) 0.4997(2) 0.0321(6) Uani 1 1 d . A .
C17 C 0.9030(3) 0.2573(3) 0.3307(3) 0.0459(7) Uani 1 1 d . . .
H17A H 0.9547 0.2795 0.4214 0.069 Uiso 1 1 calc R A .
H17B H 0.9645 0.2517 0.2622 0.069 Uiso 1 1 calc R . .
H17C H 0.8276 0.1595 0.2914 0.069 Uiso 1 1 calc R . .
C18 C 0.6606(3) 0.6122(3) 0.6274(3) 0.0480(8) Uani 1 1 d . . .
H18A H 0.5856 0.5270 0.6228 0.072 Uiso 1 1 calc R A .
H18B H 0.6236 0.6886 0.6267 0.072 Uiso 1 1 calc R . .
H18C H 0.7289 0.6589 0.7159 0.072 Uiso 1 1 calc R . .
O1 O 0.6164(2) 0.19493(19) 0.86861(16) 0.0337(4) Uani 1 1 d . A .
C2 C 0.5289(3) 0.2762(3) 0.9532(3) 0.0392(7) Uani 1 1 d . . .
H2A H 0.5868 0.3841 1.0223 0.047 Uiso 1 1 calc R A .
C3 C 0.4209(4) 0.2755(4) 0.8547(4) 0.0602(9) Uani 1 1 d . A .
H3A H 0.4649 0.3320 0.8066 0.090 Uiso 1 1 calc R . .
H3B H 0.3590 0.3241 0.9104 0.090 Uiso 1 1 calc R . .
H3C H 0.3680 0.1699 0.7827 0.090 Uiso 1 1 calc R . .
C4 C 0.4750(5) 0.1944(4) 1.0349(4) 0.0772(13) Uani 1 1 d . A .
H4A H 0.5522 0.2007 1.0963 0.116 Uiso 1 1 calc R . .
H4B H 0.4228 0.0870 0.9674 0.116 Uiso 1 1 calc R . .
H4C H 0.4148 0.2421 1.0945 0.116 Uiso 1 1 calc R . .
S2 S 0.8249(2) 0.4589(3) 0.89394(16) 0.0314(5) Uani 0.643(7) 1 d P A 1
O2 O 0.8007(4) 0.1312(4) 0.7496(4) 0.0435(11) Uani 0.643(7) 1 d P A 1
C5 C 0.9146(7) 0.1473(7) 0.8376(9) 0.073(2) Uani 0.643(7) 1 d P A 1
H5 H 0.9655 0.2579 0.9050 0.087 Uiso 0.643(7) 1 calc PR A 1
C6 C 0.8563(9) 0.0664(8) 0.9217(8) 0.075(2) Uani 0.643(7) 1 d P A 1
H6A H 0.7996 0.1187 0.9831 0.112 Uiso 0.643(7) 1 calc PR A 1
H6B H 0.9320 0.0680 0.9813 0.112 Uiso 0.643(7) 1 calc PR A 1
H6C H 0.7997 -0.0397 0.8546 0.112 Uiso 0.643(7) 1 calc PR A 1
C7 C 1.0047(8) 0.0780(8) 0.7463(14) 0.125(5) Uani 0.643(7) 1 d P A 1
H7A H 1.0400 0.1345 0.6953 0.188 Uiso 0.643(7) 1 calc PR A 1
H7B H 0.9524 -0.0286 0.6765 0.188 Uiso 0.643(7) 1 calc PR A 1
H7C H 1.0818 0.0821 0.8061 0.188 Uiso 0.643(7) 1 calc PR A 1
S2' S 0.7961(4) 0.5115(6) 0.9038(3) 0.0332(9) Uani 0.357(7) 1 d P A 2
O2' O 0.8607(6) 0.2383(8) 0.8143(6) 0.038(2) Uani 0.357(7) 1 d P A 2
C5' C 0.8458(14) 0.0821(13) 0.7575(11) 0.046(3) Uani 0.357(7) 1 d P A 2
H5' H 0.7476 0.0133 0.7274 0.055 Uiso 0.357(7) 1 calc PR A 2
C6' C 0.933(3) 0.067(3) 0.8706(16) 0.147(11) Uani 0.357(7) 1 d P A 2
H6'1 H 0.8885 0.0853 0.9538 0.221 Uiso 0.357(7) 1 calc PR A 2
H6'2 H 1.0254 0.1423 0.9013 0.221 Uiso 0.357(7) 1 calc PR A 2
H6'3 H 0.9381 -0.0360 0.8274 0.221 Uiso 0.357(7) 1 calc PR A 2
C7' C 0.9245(14) 0.0477(12) 0.6335(11) 0.069(3) Uani 0.357(7) 1 d P A 2
H7'1 H 0.8792 0.0591 0.5584 0.103 Uiso 0.357(7) 1 calc PR A 2
H7'2 H 0.9251 -0.0571 0.5936 0.103 Uiso 0.357(7) 1 calc PR A 2
H7'3 H 1.0193 0.1193 0.6692 0.103 Uiso 0.357(7) 1 calc PR A 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'
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 180.000(2) 2_656 . ?
N1 Ni1 S1 105.49(6) 2_656 . ?
N1 Ni1 S1 74.51(6) . . ?
N1 Ni1 S1 74.51(6) 2_656 2_656 ?
N1 Ni1 S1 105.49(6) . 2_656 ?
S1 Ni1 S1 180.0 . 2_656 ?
O2' P1 O1 113.4(2) . . ?
O2' P1 N1 119.0(2) . . ?
O1 P1 N1 105.65(11) . . ?
O1 P1 O2 97.89(15) . . ?
N1 P1 O2 95.38(16) . . ?
O2' P1 S2 82.7(2) . . ?
O1 P1 S2 116.52(9) . . ?
N1 P1 S2 118.90(11) . . ?
O2 P1 S2 118.70(15) . . ?
O2' P1 S2' 97.7(3) . . ?
O1 P1 S2' 111.19(11) . . ?
N1 P1 S2' 109.76(13) . . ?
O2 P1 S2' 133.55(17) . . ?
C1 N1 P1 128.34(18) . . ?
C1 N1 Ni1 98.54(14) . . ?
P1 N1 Ni1 132.56(12) . . ?
N2 C1 N1 126.4(2) . . ?
N2 C1 S1 124.22(18) . . ?
N1 C1 S1 109.39(17) . . ?
C1 S1 Ni1 77.31(8) . . ?
C1 N2 C11 123.5(2) . . ?
C1 N2 H2 115(2) . . ?
C11 N2 H2 121(2) . . ?
C16 C11 C12 122.6(2) . . ?
C16 C11 N2 117.9(2) . . ?
C12 C11 N2 119.4(2) . . ?
C11 C12 C13 117.2(3) . . ?
C11 C12 C17 121.3(2) . . ?
C13 C12 C17 121.5(2) . . ?
C14 C13 C12 121.1(3) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 120.5(3) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.6(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C11 C16 C15 118.0(2) . . ?
C11 C16 C18 120.6(2) . . ?
C15 C16 C18 121.5(3) . . ?
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 . . ?
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 . . ?
C2 O1 P1 124.11(16) . . ?
O1 C2 C4 104.4(2) . . ?
O1 C2 C3 109.5(2) . . ?
C4 C2 C3 114.9(3) . . ?
O1 C2 H2A 109.3 . . ?
C4 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
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 . . ?
C5 O2 P1 124.2(4) . . ?
O2 C5 C7 108.6(8) . . ?
O2 C5 C6 105.6(5) . . ?
C7 C5 C6 112.6(6) . . ?
O2 C5 H5 110.0 . . ?
C7 C5 H5 110.0 . . ?
C6 C5 H5 110.0 . . ?
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 . . ?
C5' O2' P1 111.2(8) . . ?
O2' C5' C7' 104.8(8) . . ?
O2' C5' C6' 107.7(11) . . ?
C7' C5' C6' 103.7(12) . . ?
O2' C5' H5' 113.3 . . ?
C7' C5' H5' 113.3 . . ?
C6' C5' H5' 113.3 . . ?
C5' C6' H6'1 109.5 . . ?
C5' C6' H6'2 109.5 . . ?
H6'1 C6' H6'2 109.5 . . ?
C5' C6' H6'3 109.5 . . ?
H6'1 C6' H6'3 109.5 . . ?
H6'2 C6' H6'3 109.5 . . ?
C5' C7' H7'1 109.5 . . ?
C5' C7' H7'2 109.5 . . ?
H7'1 C7' H7'2 109.5 . . ?
C5' C7' H7'3 109.5 . . ?
H7'1 C7' H7'3 109.5 . . ?
H7'2 C7' H7'3 109.5 . . ?
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 1.911(2) 2_656 ?
Ni1 N1 1.911(2) . ?
Ni1 S1 2.2195(6) . ?
Ni1 S1 2.2195(6) 2_656 ?
P1 O2' 1.524(6) . ?
P1 O1 1.5575(18) . ?
P1 N1 1.642(2) . ?
P1 O2 1.645(4) . ?
P1 S2 1.811(2) . ?
P1 S2' 2.220(5) . ?
N1 C1 1.343(3) . ?
C1 N2 1.319(3) . ?
C1 S1 1.724(2) . ?
N2 C11 1.434(3) . ?
N2 H2 0.80(3) . ?
C11 C16 1.385(4) . ?
C11 C12 1.392(3) . ?
C12 C13 1.398(4) . ?
C12 C17 1.503(4) . ?
C13 C14 1.372(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.372(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.394(4) . ?
C15 H15 0.9500 . ?
C16 C18 1.506(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
O1 C2 1.469(3) . ?
C2 C4 1.497(4) . ?
C2 C3 1.499(5) . ?
C2 H2A 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
O2 C5 1.397(8) . ?
C5 C7 1.469(10) . ?
C5 C6 1.523(11) . ?
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 . ?
O2' C5' 1.416(13) . ?
C5' C7' 1.537(14) . ?
C5' C6' 1.56(2) . ?
C5' H5' 1.0000 . ?
C6' H6'1 0.9800 . ?
C6' H6'2 0.9800 . ?
C6' H6'3 0.9800 . ?
C7' H7'1 0.9800 . ?
C7' H7'2 0.9800 . ?
C7' H7'3 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 S2 0.80(3) 2.48(3) 3.177(2) 146(3) .
N2 H2 S2' 0.80(3) 2.49(3) 3.178(3) 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
O2' P1 N1 C1 -75.6(4) . . . . ?
O1 P1 N1 C1 155.6(2) . . . . ?
O2 P1 N1 C1 -104.6(3) . . . . ?
S2 P1 N1 C1 22.5(3) . . . . ?
S2' P1 N1 C1 35.7(3) . . . . ?
O2' P1 N1 Ni1 93.9(3) . . . . ?
O1 P1 N1 Ni1 -34.9(2) . . . . ?
O2 P1 N1 Ni1 64.9(2) . . . . ?
S2 P1 N1 Ni1 -168.04(16) . . . . ?
S2' P1 N1 Ni1 -154.84(19) . . . . ?
N1 Ni1 N1 C1 82(51) 2_656 . . . ?
S1 Ni1 N1 C1 -3.70(14) . . . . ?
S1 Ni1 N1 C1 176.30(14) 2_656 . . . ?
N1 Ni1 N1 P1 -89(51) 2_656 . . . ?
S1 Ni1 N1 P1 -175.39(19) . . . . ?
S1 Ni1 N1 P1 4.61(19) 2_656 . . . ?
P1 N1 C1 N2 -1.3(4) . . . . ?
Ni1 N1 C1 N2 -173.5(2) . . . . ?
P1 N1 C1 S1 177.07(15) . . . . ?
Ni1 N1 C1 S1 4.87(18) . . . . ?
N2 C1 S1 Ni1 174.1(2) . . . . ?
N1 C1 S1 Ni1 -4.25(16) . . . . ?
N1 Ni1 S1 C1 -177.08(11) 2_656 . . . ?
N1 Ni1 S1 C1 2.92(11) . . . . ?
S1 Ni1 S1 C1 -3(100) 2_656 . . . ?
N1 C1 N2 C11 -172.5(2) . . . . ?
S1 C1 N2 C11 9.4(4) . . . . ?
C1 N2 C11 C16 97.8(3) . . . . ?
C1 N2 C11 C12 -84.0(3) . . . . ?
C16 C11 C12 C13 -1.5(4) . . . . ?
N2 C11 C12 C13 -179.6(2) . . . . ?
C16 C11 C12 C17 178.4(2) . . . . ?
N2 C11 C12 C17 0.2(4) . . . . ?
C11 C12 C13 C14 0.6(4) . . . . ?
C17 C12 C13 C14 -179.3(3) . . . . ?
C12 C13 C14 C15 0.3(4) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C12 C11 C16 C15 1.5(4) . . . . ?
N2 C11 C16 C15 179.6(2) . . . . ?
C12 C11 C16 C18 -178.0(2) . . . . ?
N2 C11 C16 C18 0.2(3) . . . . ?
C14 C15 C16 C11 -0.6(4) . . . . ?
C14 C15 C16 C18 178.9(3) . . . . ?
O2' P1 O1 C2 135.3(3) . . . . ?
N1 P1 O1 C2 -92.6(2) . . . . ?
O2 P1 O1 C2 169.5(2) . . . . ?
S2 P1 O1 C2 41.8(2) . . . . ?
S2' P1 O1 C2 26.4(3) . . . . ?
P1 O1 C2 C4 -165.1(2) . . . . ?
P1 O1 C2 C3 71.3(3) . . . . ?
O2' P1 O2 C5 29.8(5) . . . . ?
O1 P1 O2 C5 -89.5(5) . . . . ?
N1 P1 O2 C5 163.8(5) . . . . ?
S2 P1 O2 C5 36.6(5) . . . . ?
S2' P1 O2 C5 39.9(6) . . . . ?
P1 O2 C5 C7 -145.4(4) . . . . ?
P1 O2 C5 C6 93.6(5) . . . . ?
O1 P1 O2' C5' 60.5(6) . . . . ?
N1 P1 O2' C5' -64.6(6) . . . . ?
O2 P1 O2' C5' -9.8(5) . . . . ?
S2 P1 O2' C5' 176.3(6) . . . . ?
S2' P1 O2' C5' 177.7(5) . . . . ?
P1 O2' C5' C7' 115.2(9) . . . . ?
P1 O2' C5' C6' -134.8(12) . . . . ?
