#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:09:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179364 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/61/4326191.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_4326191
loop_
_publ_author_name
'Chao Chen'
'Huayu Qiu'
'Wanzhi Chen'
_publ_section_title
;
 Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3,
 Palladium-Silver, and Dinuclear Platinum Complexes Containing
 Pyrazole-Functionalized NHC Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8671
_journal_page_last               8678
_journal_paper_doi               10.1021/ic2012233
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C31 H43 F12 N13 Ni3 O2 P2 S'
_chemical_formula_weight         1127.91
_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                92.6380(10)
_cell_angle_beta                 106.440(2)
_cell_angle_gamma                106.786(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9545(12)
_cell_length_b                   15.3178(18)
_cell_length_c                   15.4704(19)
_cell_measurement_temperature    298(2)
_cell_volume                     2360.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1079
_diffrn_reflns_av_sigmaI/netI    0.1880
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12510
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.388
_exptl_absorpt_correction_T_max  0.8737
_exptl_absorpt_correction_T_min  0.7499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_description       block
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.074
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         8193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1882
_refine_ls_R_factor_gt           0.0948
_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)+(0.1062P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2265
_refine_ls_wR_factor_ref         0.2614
_reflns_number_gt                3627
_reflns_number_total             8193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2012233_si_002_1.cif
_cod_data_source_block           1
_cod_database_code               4326191
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
Ni1 Ni 0.40684(11) 0.62016(9) 0.07929(8) 0.0469(4) Uani 1 1 d .
Ni2 Ni 0.61700(13) 0.81703(9) 0.16382(8) 0.0521(4) Uani 1 1 d .
Ni3 Ni 0.51015(12) 0.67944(9) 0.29326(8) 0.0520(4) Uani 1 1 d .
F1 F 1.1033(14) 0.3586(14) 0.4119(10) 0.248(7) Uani 1 1 d .
F2 F 0.8144(17) 0.2707(15) 0.3195(12) 0.287(9) Uani 1 1 d .
F3 F 0.9357(14) 0.3623(12) 0.4412(9) 0.215(6) Uani 1 1 d .
F4 F 0.973(2) 0.2473(13) 0.4229(11) 0.281(10) Uani 1 1 d .
F5 F 0.9648(19) 0.2512(12) 0.2862(9) 0.239(7) Uani 1 1 d .
F6 F 0.9635(18) 0.3814(12) 0.3029(10) 0.263(9) Uani 1 1 d .
F7 F 0.0501(16) 0.7890(12) 0.0459(10) 0.247(7) Uani 1 1 d .
F8 F 0.148(2) 0.9024(14) 0.2246(12) 0.286(9) Uani 1 1 d .
F9 F -0.0359(16) 0.8318(13) 0.1426(11) 0.244(7) Uani 1 1 d .
F10 F 0.080(2) 0.9244(14) 0.0840(14) 0.303(11) Uani 1 1 d .
F11 F 0.2471(14) 0.8886(11) 0.1260(10) 0.229(7) Uani 1 1 d .
F12 F 0.1166(19) 0.7738(11) 0.1796(13) 0.269(9) Uani 1 1 d .
N1 N 0.4832(8) 0.6910(6) 0.0027(5) 0.051(2) Uani 1 1 d .
N2 N 0.5638(8) 0.7799(5) 0.0409(5) 0.049(2) Uani 1 1 d .
N3 N 0.6781(9) 0.9678(7) 0.0674(6) 0.065(3) Uani 1 1 d .
N4 N 0.6109(9) 1.0062(7) 0.1752(7) 0.067(3) Uani 1 1 d .
N5 N 0.6988(8) 0.8501(6) 0.2894(6) 0.062(3) Uani 1 1 d .
N6 N 0.6385(8) 0.7935(6) 0.3414(5) 0.063(3) Uani 1 1 d .
N7 N 0.5298(10) 0.7271(7) 0.4796(6) 0.071(3) Uani 1 1 d .
N8 N 0.3273(10) 0.6584(7) 0.4027(7) 0.075(3) Uani 1 1 d .
N9 N 0.4072(8) 0.5580(6) 0.2478(5) 0.052(2) Uani 1 1 d .
N10 N 0.3519(7) 0.5379(5) 0.1552(5) 0.050(2) Uani 1 1 d .
N11 N 0.1716(8) 0.4741(6) -0.0200(5) 0.051(2) Uani 1 1 d .
N12 N 0.1603(8) 0.6013(6) -0.0667(5) 0.049(2) Uani 1 1 d .
N13 N 0.297(2) 0.1436(18) 0.2763(13) 0.094(8) Uani 0.50 1 d P
N14 N 0.556(7) 1.012(5) 0.554(3) 0.183(17) Uani 0.50 1 d P
O1 O 0.5582(6) 0.6899(4) 0.1823(4) 0.0526(18) Uani 1 1 d .
H1D H 0.6222 0.6679 0.1865 0.063 Uiso 1 1 d R
O2 O 0.7573(8) 0.6248(6) 0.2007(5) 0.089(3) Uani 1 1 d .
P1 P 0.9558(5) 0.3118(4) 0.3627(3) 0.1018(14) Uani 1 1 d .
P2 P 0.1089(6) 0.8502(4) 0.1365(3) 0.1159(17) Uani 1 1 d .
S1 S 0.8610(4) 0.6194(3) 0.2816(3) 0.1191(15) Uani 1 1 d .
C1 C 0.9007(12) 0.9863(9) 0.3107(8) 0.092(4) Uani 1 1 d .
H1A H 0.9907 0.9852 0.3368 0.138 Uiso 1 1 calc R
H1B H 0.8957 1.0459 0.3277 0.138 Uiso 1 1 calc R
H1C H 0.8754 0.9737 0.2456 0.138 Uiso 1 1 calc R
C2 C 0.8060(11) 0.9137(8) 0.3454(7) 0.072(3) Uani 1 1 d .
C3 C 0.8174(12) 0.8997(9) 0.4327(8) 0.082(4) Uani 1 1 d .
H3 H 0.8845 0.9340 0.4846 0.098 Uiso 1 1 calc R
C4 C 0.7081(12) 0.8231(8) 0.4292(7) 0.072(3) Uani 1 1 d .
C5 C 0.6727(12) 0.7692(9) 0.5021(7) 0.079(4) Uani 1 1 d .
H5A H 0.7160 0.7218 0.5097 0.095 Uiso 1 1 calc R
H5B H 0.7057 0.8099 0.5593 0.095 Uiso 1 1 calc R
C6 C 0.4512(12) 0.6864(8) 0.3949(7) 0.070(3) Uani 1 1 d .
C7 C 0.3340(15) 0.6814(10) 0.4906(9) 0.086(4) Uani 1 1 d .
H7 H 0.2611 0.6679 0.5128 0.103 Uiso 1 1 calc R
C8 C 0.4534(15) 0.7234(10) 0.5371(9) 0.085(4) Uani 1 1 d .
H8 H 0.4842 0.7473 0.5985 0.102 Uiso 1 1 calc R
C9 C 0.2025(12) 0.6168(10) 0.3250(9) 0.097(4) Uani 1 1 d .
H9A H 0.1424 0.6520 0.3230 0.146 Uiso 1 1 calc R
H9B H 0.1602 0.5546 0.3326 0.146 Uiso 1 1 calc R
H9C H 0.2244 0.6168 0.2691 0.146 Uiso 1 1 calc R
C10 C 0.4160(12) 0.4694(8) 0.3820(7) 0.077(4) Uani 1 1 d .
H10A H 0.4981 0.4544 0.3968 0.116 Uiso 1 1 calc R
H10B H 0.3483 0.4219 0.3962 0.116 Uiso 1 1 calc R
H10C H 0.4305 0.5270 0.4168 0.116 Uiso 1 1 calc R
C11 C 0.3704(10) 0.4771(8) 0.2815(7) 0.061(3) Uani 1 1 d .
C12 C 0.2896(10) 0.4086(7) 0.2099(7) 0.059(3) Uani 1 1 d .
H12 H 0.2490 0.3473 0.2141 0.071 Uiso 1 1 calc R
C13 C 0.2807(10) 0.4481(7) 0.1316(7) 0.052(3) Uani 1 1 d .
C14 C 0.2199(10) 0.4079(7) 0.0352(7) 0.061(3) Uani 1 1 d .
H14A H 0.1456 0.3525 0.0290 0.074 Uiso 1 1 calc R
H14B H 0.2858 0.3909 0.0133 0.074 Uiso 1 1 calc R
C15 C 0.2415(9) 0.5647(7) -0.0089(6) 0.048(3) Uani 1 1 d .
C16 C 0.0417(10) 0.5334(8) -0.1161(7) 0.062(3) Uani 1 1 d .
H16 H -0.0293 0.5419 -0.1610 0.074 Uiso 1 1 calc R
C17 C 0.0488(10) 0.4554(9) -0.0876(7) 0.062(3) Uani 1 1 d .
H17 H -0.0160 0.3980 -0.1087 0.074 Uiso 1 1 calc R
C18 C 0.1871(12) 0.6983(8) -0.0773(7) 0.067(3) Uani 1 1 d .
H18A H 0.2437 0.7352 -0.0205 0.101 Uiso 1 1 calc R
H18B H 0.1041 0.7120 -0.0956 0.101 Uiso 1 1 calc R
H18C H 0.2313 0.7115 -0.1229 0.101 Uiso 1 1 calc R
C19 C 0.4105(11) 0.5904(7) -0.1480(7) 0.069(3) Uani 1 1 d .
H19A H 0.4146 0.5391 -0.1152 0.103 Uiso 1 1 calc R
H19B H 0.4496 0.5880 -0.1959 0.103 Uiso 1 1 calc R
H19C H 0.3186 0.5878 -0.1736 0.103 Uiso 1 1 calc R
C20 C 0.4863(10) 0.6785(7) -0.0843(7) 0.055(3) Uani 1 1 d .
C21 C 0.5719(10) 0.7582(7) -0.1009(7) 0.056(3) Uani 1 1 d .
H21 H 0.5944 0.7682 -0.1540 0.067 Uiso 1 1 calc R
C22 C 0.6168(10) 0.8198(7) -0.0211(7) 0.055(3) Uani 1 1 d .
C23 C 0.7125(12) 0.9156(7) 0.0038(8) 0.069(3) Uani 1 1 d .
H23A H 0.8030 0.9136 0.0306 0.083 Uiso 1 1 calc R
H23B H 0.7097 0.9451 -0.0505 0.083 Uiso 1 1 calc R
C24 C 0.6386(10) 0.9381(8) 0.1376(7) 0.058(3) Uani 1 1 d .
C25 C 0.6376(14) 1.0809(9) 0.1291(10) 0.086(4) Uani 1 1 d .
H25 H 0.6285 1.1380 0.1430 0.103 Uiso 1 1 calc R
C26 C 0.6777(14) 1.0572(10) 0.0630(9) 0.086(4) Uani 1 1 d .
H26 H 0.7017 1.0939 0.0204 0.103 Uiso 1 1 calc R
C27 C 0.5585(14) 1.0050(9) 0.2503(9) 0.093(4) Uani 1 1 d .
H27A H 0.6314 1.0265 0.3060 0.139 Uiso 1 1 calc R
H27B H 0.5058 0.9433 0.2517 0.139 Uiso 1 1 calc R
H27C H 0.5034 1.0444 0.2434 0.139 Uiso 1 1 calc R
C28 C 0.9342(16) 0.7305(11) 0.3453(10) 0.123(6) Uani 1 1 d .
H28A H 0.9708 0.7734 0.3088 0.184 Uiso 1 1 calc R
H28B H 1.0045 0.7296 0.3986 0.184 Uiso 1 1 calc R
H28C H 0.8672 0.7489 0.3631 0.184 Uiso 1 1 calc R
C29 C 0.7988(19) 0.5612(12) 0.3615(10) 0.151(8) Uani 1 1 d .
H29A H 0.7347 0.5867 0.3749 0.226 Uiso 1 1 calc R
H29B H 0.8712 0.5676 0.4162 0.226 Uiso 1 1 calc R
H29C H 0.7561 0.4971 0.3377 0.226 Uiso 1 1 calc R
C30 C 0.193(4) 0.1402(19) 0.227(2) 0.101(11) Uani 0.50 1 d P
C31 C 0.061(3) 0.141(2) 0.1627(19) 0.110(10) Uani 0.50 1 d P
H31A H 0.0018 0.1452 0.1965 0.165 Uiso 0.50 1 calc PR
H31B H 0.0222 0.0845 0.1207 0.165 Uiso 0.50 1 calc PR
H31C H 0.0763 0.1921 0.1297 0.165 Uiso 0.50 1 calc PR
C32 C 0.451(8) 0.964(4) 0.509(7) 0.155(19) Uani 0.50 1 d P
C33 C 0.310(4) 0.916(3) 0.447(3) 0.160(16) Uani 0.50 1 d P
H33A H 0.2881 0.8503 0.4327 0.240 Uiso 0.50 1 d PR
H33B H 0.2979 0.9429 0.3917 0.240 Uiso 0.50 1 d PR
H33C H 0.2530 0.9289 0.4791 0.240 Uiso 0.50 1 d PR
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'
Ni Ni 0.3393 1.1124 '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'
F F 0.0171 0.0103 '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
N10 Ni1 N1 169.7(4) . .
N10 Ni1 C15 88.6(4) . .
N1 Ni1 C15 95.1(4) . .
N10 Ni1 O1 88.9(3) . .
N1 Ni1 O1 89.4(3) . .
C15 Ni1 O1 168.2(4) . .
N2 Ni2 N5 169.9(4) . .
N2 Ni2 C24 87.7(4) . .
N5 Ni2 C24 95.5(4) . .
N2 Ni2 O1 89.3(3) . .
N5 Ni2 O1 89.4(3) . .
C24 Ni2 O1 168.9(4) . .
N9 Ni3 N6 170.0(4) . .
N9 Ni3 C6 96.2(4) . .
N6 Ni3 C6 88.1(4) . .
N9 Ni3 O1 89.0(3) . .
N6 Ni3 O1 88.2(3) . .
C6 Ni3 O1 169.8(4) . .
C20 N1 N2 107.7(7) . .
C20 N1 Ni1 136.7(7) . .
N2 N1 Ni1 115.6(6) . .
C22 N2 N1 108.2(8) . .
C22 N2 Ni2 128.2(7) . .
N1 N2 Ni2 121.7(6) . .
C24 N3 C26 109.2(11) . .
C24 N3 C23 126.5(10) . .
C26 N3 C23 124.3(11) . .
C24 N4 C25 109.2(11) . .
C24 N4 C27 127.0(10) . .
C25 N4 C27 123.7(12) . .
C2 N5 N6 107.6(8) . .
C2 N5 Ni2 137.5(8) . .
N6 N5 Ni2 114.8(6) . .
C4 N6 N5 108.9(8) . .
C4 N6 Ni3 126.6(8) . .
N5 N6 Ni3 122.7(6) . .
C6 N7 C8 110.4(10) . .
C6 N7 C5 122.7(10) . .
C8 N7 C5 126.9(10) . .
C6 N8 C7 109.2(11) . .
C6 N8 C9 124.5(10) . .
C7 N8 C9 126.1(11) . .
C11 N9 N10 106.3(8) . .
C11 N9 Ni3 137.4(7) . .
N10 N9 Ni3 116.3(6) . .
C13 N10 N9 110.2(7) . .
C13 N10 Ni1 127.1(7) . .
N9 N10 Ni1 121.2(6) . .
C15 N11 C17 109.9(9) . .
C15 N11 C14 123.5(8) . .
C17 N11 C14 126.5(9) . .
C15 N12 C16 110.6(9) . .
C15 N12 C18 126.2(8) . .
C16 N12 C18 123.2(9) . .
C32 N14 C32 78(7) 2_676 .
C32 N14 C33 67(9) 2_676 2_676
C32 N14 C33 145(9) . 2_676
C32 N14 N14 42(4) 2_676 2_676
C32 N14 N14 37(4) . 2_676
C33 N14 N14 109(7) 2_676 2_676
Ni2 O1 Ni3 110.9(3) . .
Ni2 O1 Ni1 110.0(3) . .
Ni3 O1 Ni1 110.2(3) . .
F4 P1 F2 97.4(12) . .
F4 P1 F6 169.7(13) . .
F2 P1 F6 92.1(10) . .
F4 P1 F3 83.7(10) . .
F2 P1 F3 92.8(11) . .
F6 P1 F3 100.1(12) . .
F4 P1 F1 82.9(10) . .
F2 P1 F1 176.9(12) . .
F6 P1 F1 87.9(10) . .
F3 P1 F1 84.2(9) . .
F4 P1 F5 91.7(12) . .
F2 P1 F5 83.0(10) . .
F6 P1 F5 85.3(10) . .
F3 P1 F5 173.3(11) . .
F1 P1 F5 100.1(11) . .
F12 P2 F8 87.9(12) . .
F12 P2 F10 171.7(12) . .
F8 P2 F10 96.1(13) . .
F12 P2 F7 89.4(11) . .
F8 P2 F7 172.5(11) . .
F10 P2 F7 85.7(11) . .
F12 P2 F11 103.2(12) . .
F8 P2 F11 93.0(10) . .
F10 P2 F11 83.9(10) . .
F7 P2 F11 94.4(9) . .
F12 P2 F9 88.9(11) . .
F8 P2 F9 84.1(10) . .
F10 P2 F9 84.3(11) . .
F7 P2 F9 88.9(9) . .
F11 P2 F9 167.5(11) . .
O2 S1 C29 113.9(7) . .
O2 S1 C28 107.4(7) . .
C29 S1 C28 98.4(8) . .
N5 C2 C3 110.0(10) . .
N5 C2 C1 122.1(10) . .
C3 C2 C1 127.9(10) . .
C2 C3 C4 106.1(10) . .
N6 C4 C3 107.4(10) . .
N6 C4 C5 120.8(10) . .
C3 C4 C5 131.4(10) . .
N7 C5 C4 111.2(9) . .
N8 C6 N7 103.8(10) . .
N8 C6 Ni3 130.7(9) . .
N7 C6 Ni3 125.5(9) . .
C8 C7 N8 109.9(12) . .
C7 C8 N7 106.7(12) . .
N9 C11 C12 108.7(9) . .
N9 C11 C10 122.7(10) . .
C12 C11 C10 128.6(10) . .
C13 C12 C11 107.1(10) . .
N10 C13 C12 107.7(9) . .
N10 C13 C14 120.6(9) . .
C12 C13 C14 131.5(10) . .
C13 C14 N11 110.6(9) . .
N12 C15 N11 104.9(8) . .
N12 C15 Ni1 130.9(8) . .
N11 C15 Ni1 123.9(7) . .
C17 C16 N12 107.2(9) . .
C16 C17 N11 107.3(10) . .
N1 C20 C21 108.9(9) . .
N1 C20 C19 123.4(9) . .
C21 C20 C19 127.7(10) . .
C22 C21 C20 105.5(9) . .
N2 C22 C21 109.7(9) . .
N2 C22 C23 119.4(9) . .
C21 C22 C23 130.9(9) . .
N3 C23 C22 110.3(9) . .
N4 C24 N3 106.6(10) . .
N4 C24 Ni2 130.6(9) . .
N3 C24 Ni2 122.6(10) . .
C26 C25 N4 107.6(13) . .
C25 C26 N3 107.3(12) . .
N13 C30 C31 177(3) . .
N14 C32 N14 102(7) 2_676 .
N14 C32 C32 55(5) 2_676 2_676
N14 C32 C32 47(4) . 2_676
N14 C32 C33 73(10) 2_676 .
N14 C32 C33 170(7) . .
C32 C32 C33 127(10) 2_676 .
C32 C33 N14 40(2) . 2_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N10 1.852(7) .
Ni1 N1 1.855(8) .
Ni1 C15 1.862(9) .
Ni1 O1 1.938(6) .
Ni2 N2 1.833(8) .
Ni2 N5 1.869(8) .
Ni2 C24 1.879(12) .
Ni2 O1 1.929(6) .
Ni3 N9 1.857(8) .
Ni3 N6 1.858(9) .
Ni3 C6 1.871(12) .
Ni3 O1 1.933(6) .
F1 P1 1.513(14) .
F2 P1 1.434(16) .
F3 P1 1.510(12) .
F4 P1 1.405(15) .
F5 P1 1.513(13) .
F6 P1 1.443(13) .
F7 P2 1.509(13) .
F8 P2 1.431(15) .
F9 P2 1.560(15) .
F10 P2 1.483(18) .
F11 P2 1.516(14) .
F12 P2 1.385(14) .
N1 C20 1.362(11) .
N1 N2 1.385(10) .
N2 C22 1.340(11) .
N3 C24 1.331(12) .
N3 C26 1.376(15) .
N3 C23 1.436(14) .
N4 C24 1.320(14) .
N4 C25 1.380(15) .
N4 C27 1.433(15) .
N5 C2 1.328(12) .
N5 N6 1.367(11) .
N6 C4 1.337(13) .
N7 C6 1.349(13) .
N7 C8 1.376(14) .
N7 C5 1.441(14) .
N8 C6 1.342(14) .
N8 C7 1.365(14) .
N8 C9 1.489(14) .
N9 C11 1.363(12) .
N9 N10 1.369(10) .
N10 C13 1.344(12) .
N11 C15 1.354(12) .
N11 C17 1.393(12) .
N11 C14 1.473(12) .
N12 C15 1.337(12) .
N12 C16 1.392(11) .
N12 C18 1.455(12) .
N13 C30 1.16(4) .
N14 C32 1.05(5) 2_676
N14 C32 1.17(6) .
N14 C33 1.56(9) 2_676
N14 N14 1.72(9) 2_676
O2 S1 1.457(8) .
S1 C29 1.736(16) .
S1 C28 1.767(15) .
C1 C2 1.519(15) .
C2 C3 1.354(14) .
C3 C4 1.400(15) .
C4 C5 1.501(14) .
C7 C8 1.258(17) .
C10 C11 1.514(14) .
C11 C12 1.383(14) .
C12 C13 1.371(13) .
C13 C14 1.471(13) .
C16 C17 1.308(14) .
C19 C20 1.499(14) .
C20 C21 1.393(13) .
C21 C22 1.392(14) .
C22 C23 1.493(14) .
C25 C26 1.298(17) .
C30 C31 1.51(4) .
C32 N14 1.05(5) 2_676
C32 C32 1.41(11) 2_676
C32 C33 1.51(10) .
C33 N14 1.56(9) 2_676
