#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:36:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179798 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/94/7009443.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_7009443
loop_
_publ_author_name
'Scherhag, Gunter'
'Spicer, Mark D.'
_publ_section_title
;
 Preparation of a cyclic trimer with a Ni3P3 core: aggregation and
 conformation driven by steric demand †
;
_journal_issue                   8
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1237
_journal_paper_doi               10.1039/b001098g
_journal_year                    2000
_chemical_formula_moiety         'C45 H42 N3 Ni3 O3 P3. C1 H1 Cl3'
_chemical_formula_sum            'C46 H43 Cl3 N3 Ni3 O3 P3'
_chemical_formula_weight         1061.22
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.000(3)
_cell_angle_beta                 107.160(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   12.698(3)
_cell_length_b                   18.833(3)
_cell_length_c                   19.677(3)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.4
_cell_measurement_theta_min      12.5
_cell_volume                     4496.1(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXs-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      150.2(5)
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.1251
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8147
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.56
_diffrn_standards_decay_%        -0.80
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.573
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_description       block
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.470
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.013
_refine_ls_goodness_of_fit_obs   1.123
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         5873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_restrained_S_obs      1.123
_refine_ls_R_factor_all          0.1243
_refine_ls_R_factor_obs          0.0427
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0384P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1085
_refine_ls_wR_factor_obs         0.0893
_reflns_number_observed          3474
_reflns_number_total             5873
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b001098g.txt
_cod_data_source_block           '[ni{o-C6H4(O)(CH=N(CH2)2PPh2}]3'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0384P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0384P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7009443
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ni1 Ni 0.66137(6) 0.50014(5) 0.37691(4) 0.0197(2) Uani 1 d . .
Ni2 Ni 0.34536(6) 0.50117(4) 0.27728(4) 0.0194(2) Uani 1 d . .
Ni3 Ni 0.54923(7) 0.36221(4) 0.24066(4) 0.0204(2) Uani 1 d . .
Cl1 Cl 0.1442(3) 0.5733(2) 0.03191(14) 0.1182(12) Uani 1 d . .
Cl2 Cl 0.1855(3) 0.67018(14) 0.1489(2) 0.0988(10) Uani 1 d . .
Cl3 Cl -0.0274(3) 0.6039(2) 0.0966(2) 0.1118(11) Uani 1 d . .
P1 P 0.60349(14) 0.39243(9) 0.35283(8) 0.0197(4) Uani 1 d . .
P2 P 0.51348(14) 0.53877(9) 0.29541(9) 0.0214(4) Uani 1 d . .
P3 P 0.38448(14) 0.39968(9) 0.23571(8) 0.0198(4) Uani 1 d . .
O1 O 0.7240(4) 0.5914(2) 0.3837(2) 0.0263(11) Uani 1 d . .
O2 O 0.1957(4) 0.4792(2) 0.2386(2) 0.0248(11) Uani 1 d . .
O3 O 0.6943(4) 0.3312(2) 0.2497(2) 0.0282(11) Uani 1 d . .
N1 N 0.7757(4) 0.4643(3) 0.4567(3) 0.0233(13) Uani 1 d . .
N2 N 0.3153(4) 0.5845(3) 0.3245(3) 0.0210(13) Uani 1 d . .
N3 N 0.4967(4) 0.3425(3) 0.1416(3) 0.0238(13) Uani 1 d . .
C1 C 0.8086(5) 0.6169(3) 0.4334(3) 0.021(2) Uani 1 d . .
C2 C 0.8425(5) 0.6868(3) 0.4289(3) 0.027(2) Uani 1 d . .
H1 H 0.8102(5) 0.7128(3) 0.3879(3) 0.034 Uiso 1 calc R .
C3 C 0.9224(5) 0.7183(4) 0.4837(4) 0.033(2) Uani 1 d . .
H2 H 0.9395(5) 0.7659(4) 0.4800(4) 0.041 Uiso 1 calc R .
C4 C 0.9783(6) 0.6803(4) 0.5446(4) 0.036(2) Uani 1 d . .
H3 H 1.0317(6) 0.7017(4) 0.5818(4) 0.046 Uiso 1 calc R .
C5 C 0.9508(6) 0.6095(4) 0.5473(4) 0.034(2) Uani 1 d . .
H4 H 0.9881(6) 0.5830(4) 0.5870(4) 0.042 Uiso 1 calc R .
C6 C 0.8695(5) 0.5761(3) 0.4930(3) 0.022(2) Uani 1 d . .
C7 C 0.8512(5) 0.5022(4) 0.4999(3) 0.027(2) Uani 1 d . .
H5 H 0.8978(5) 0.4791(4) 0.5390(3) 0.034 Uiso 1 calc R .
C8 C 0.7709(6) 0.3880(3) 0.4735(3) 0.024(2) Uani 1 d . .
H6 H 0.7214(6) 0.3808(3) 0.5022(3) 0.030 Uiso 1 calc R .
H7 H 0.8435(6) 0.3713(3) 0.5003(3) 0.030 Uiso 1 calc R .
C9 C 0.7299(5) 0.3467(3) 0.4043(3) 0.022(2) Uani 1 d . .
H8 H 0.7142(5) 0.2978(3) 0.4135(3) 0.027 Uiso 1 calc R .
H9 H 0.7846(5) 0.3471(3) 0.3787(3) 0.027 Uiso 1 calc R .
C10 C 0.5097(5) 0.3660(3) 0.4033(3) 0.022(2) Uani 1 d . .
C11 C 0.4575(5) 0.4160(3) 0.4354(3) 0.024(2) Uani 1 d . .
H10 H 0.4720(5) 0.4642(3) 0.4331(3) 0.030 Uiso 1 calc R .
C12 C 0.3841(6) 0.3926(4) 0.4704(3) 0.034(2) Uani 1 d . .
H11 H 0.3487(6) 0.4256(4) 0.4913(3) 0.042 Uiso 1 calc R .
C13 C 0.3625(6) 0.3212(4) 0.4751(3) 0.034(2) Uani 1 d . .
H12 H 0.3132(6) 0.3064(4) 0.4990(3) 0.042 Uiso 1 calc R .
C14 C 0.4142(5) 0.2721(4) 0.4441(3) 0.029(2) Uani 1 d . .
H13 H 0.3994(5) 0.2240(4) 0.4469(3) 0.036 Uiso 1 calc R .
C15 C 0.4887(6) 0.2943(3) 0.4086(3) 0.025(2) Uani 1 d . .
H14 H 0.5243(6) 0.2609(3) 0.3884(3) 0.031 Uiso 1 calc R .
C16 C 0.1138(5) 0.5013(4) 0.2617(3) 0.0233(15) Uani 1 d . .
C17 C 0.0139(5) 0.4626(3) 0.2422(4) 0.031(2) Uani 1 d . .
H15 H 0.0079(5) 0.4222(3) 0.2141(4) 0.038 Uiso 1 calc R .
C18 C -0.0738(5) 0.4837(4) 0.2639(3) 0.031(2) Uani 1 d . .
H16 H -0.1379(5) 0.4566(4) 0.2513(3) 0.039 Uiso 1 calc R .
C19 C -0.0697(6) 0.5449(4) 0.3046(3) 0.030(2) Uani 1 d . .
H17 H -0.1301(6) 0.5592(4) 0.3188(3) 0.037 Uiso 1 calc R .
C20 C 0.0263(6) 0.5834(3) 0.3231(3) 0.028(2) Uani 1 d . .
H18 H 0.0293(6) 0.6253(3) 0.3486(3) 0.035 Uiso 1 calc R .
C21 C 0.1212(5) 0.5615(3) 0.3047(3) 0.024(2) Uani 1 d . .
C22 C 0.2198(5) 0.6015(3) 0.3296(3) 0.025(2) Uani 1 d . .
H19 H 0.2148(5) 0.6445(3) 0.3518(3) 0.032 Uiso 1 calc R .
C23 C 0.4088(5) 0.6311(3) 0.3583(3) 0.029(2) Uani 1 d . .
H20 H 0.4462(5) 0.6139(3) 0.4058(3) 0.036 Uiso 1 calc R .
H21 H 0.3822(5) 0.6787(3) 0.3625(3) 0.036 Uiso 1 calc R .
C24 C 0.4886(5) 0.6329(3) 0.3147(3) 0.026(2) Uani 1 d . .
H22 H 0.5570(5) 0.6556(3) 0.3411(3) 0.032 Uiso 1 calc R .
H23 H 0.4573(5) 0.6590(3) 0.2708(3) 0.032 Uiso 1 calc R .
C25 C 0.5403(5) 0.5421(3) 0.2087(3) 0.023(2) Uani 1 d . .
C26 C 0.4666(6) 0.5747(4) 0.1509(3) 0.035(2) Uani 1 d . .
H24 H 0.4033(6) 0.5958(4) 0.1564(3) 0.044 Uiso 1 calc R .
C27 C 0.4859(7) 0.5762(4) 0.0847(4) 0.047(2) Uani 1 d . .
H25 H 0.4346(7) 0.5969(4) 0.0459(4) 0.059 Uiso 1 calc R .
C28 C 0.5803(7) 0.5473(4) 0.0771(4) 0.042(2) Uani 1 d . .
H26 H 0.5948(7) 0.5497(4) 0.0335(4) 0.053 Uiso 1 calc R .
C29 C 0.6536(6) 0.5149(4) 0.1337(4) 0.040(2) Uani 1 d . .
H27 H 0.7171(6) 0.4945(4) 0.1280(4) 0.050 Uiso 1 calc R .
C30 C 0.6346(5) 0.5119(3) 0.1992(3) 0.025(2) Uani 1 d . .
H28 H 0.6853(5) 0.4896(3) 0.2371(3) 0.031 Uiso 1 calc R .
C31 C 0.7380(5) 0.3161(3) 0.1993(3) 0.021(2) Uani 1 d . .
C32 C 0.8491(6) 0.2998(3) 0.2157(3) 0.023(2) Uani 1 d . .
H29 H 0.8910(6) 0.2995(3) 0.2632(3) 0.029 Uiso 1 calc R .
C33 C 0.9003(6) 0.2840(3) 0.1647(4) 0.032(2) Uani 1 d . .
H30 H 0.9753(6) 0.2737(3) 0.1779(4) 0.040 Uiso 1 calc R .
C34 C 0.8395(6) 0.2835(3) 0.0941(4) 0.034(2) Uani 1 d . .
H31 H 0.8744(6) 0.2731(3) 0.0598(4) 0.043 Uiso 1 calc R .
C35 C 0.7283(6) 0.2979(3) 0.0730(3) 0.026(2) Uani 1 d . .
H32 H 0.6882(6) 0.2961(3) 0.0251(3) 0.032 Uiso 1 calc R .
C36 C 0.6752(5) 0.3157(3) 0.1252(3) 0.022(2) Uani 1 d . .
C37 C 0.5590(6) 0.3276(3) 0.1024(3) 0.026(2) Uani 1 d . .
H33 H 0.5244(6) 0.3242(3) 0.0538(3) 0.032 Uiso 1 calc R .
C38 C 0.3758(5) 0.3476(3) 0.1045(3) 0.026(2) Uani 1 d . .
H34 H 0.3412(5) 0.3022(3) 0.1072(3) 0.032 Uiso 1 calc R .
H35 H 0.3643(5) 0.3587(3) 0.0547(3) 0.032 Uiso 1 calc R .
C39 C 0.3235(5) 0.4042(3) 0.1379(3) 0.026(2) Uani 1 d . .
H36 H 0.2446(5) 0.3967(3) 0.1254(3) 0.032 Uiso 1 calc R .
H37 H 0.3368(5) 0.4506(3) 0.1207(3) 0.032 Uiso 1 calc R .
C40 C 0.3101(5) 0.3246(3) 0.2609(3) 0.021(2) Uani 1 d . .
C41 C 0.2310(6) 0.3333(3) 0.2960(3) 0.028(2) Uani 1 d . .
H38 H 0.2147(6) 0.3785(3) 0.3090(3) 0.036 Uiso 1 calc R .
C42 C 0.1756(6) 0.2745(4) 0.3121(3) 0.030(2) Uani 1 d . .
H39 H 0.1215(6) 0.2806(4) 0.3347(3) 0.038 Uiso 1 calc R .
C43 C 0.2017(6) 0.2072(4) 0.2942(4) 0.037(2) Uani 1 d . .
H40 H 0.1647(6) 0.1679(4) 0.3045(4) 0.047 Uiso 1 calc R .
C44 C 0.2815(6) 0.1981(4) 0.2614(3) 0.032(2) Uani 1 d . .
H41 H 0.2992(6) 0.1526(4) 0.2500(3) 0.040 Uiso 1 calc R .
C45 C 0.3364(6) 0.2559(3) 0.2451(3) 0.029(2) Uani 1 d . .
H42 H 0.3914(6) 0.2490(3) 0.2234(3) 0.036 Uiso 1 calc R .
C46 C 0.1138(8) 0.5939(5) 0.1115(5) 0.074(3) Uani 1 d . .
H47 H 0.1392(8) 0.5545(5) 0.1448(5) 0.093 Uiso 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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
O1 Ni1 N1 93.5(2) . . ?
O1 Ni1 P1 169.02(14) . . ?
N1 Ni1 P1 88.6(2) . . ?
O1 Ni1 P2 90.11(14) . . ?
N1 Ni1 P2 171.3(2) . . ?
P1 Ni1 P2 89.35(7) . . ?
O2 Ni2 N2 93.1(2) . . ?
O2 Ni2 P2 165.22(14) . . ?
N2 Ni2 P2 88.9(2) . . ?
O2 Ni2 P3 88.28(13) . . ?
N2 Ni2 P3 173.1(2) . . ?
P2 Ni2 P3 91.46(7) . . ?
O3 Ni3 N3 94.2(2) . . ?
O3 Ni3 P3 177.20(14) . . ?
N3 Ni3 P3 88.6(2) . . ?
O3 Ni3 P1 88.73(13) . . ?
N3 Ni3 P1 175.8(2) . . ?
P3 Ni3 P1 88.47(7) . . ?
C10 P1 C9 100.1(3) . . ?
C10 P1 Ni1 111.7(2) . . ?
C9 P1 Ni1 97.7(2) . . ?
C10 P1 Ni3 114.6(2) . . ?
C9 P1 Ni3 113.5(2) . . ?
Ni1 P1 Ni3 116.83(8) . . ?
C25 P2 C24 104.3(3) . . ?
C25 P2 Ni2 107.5(2) . . ?
C24 P2 Ni2 97.2(2) . . ?
C25 P2 Ni1 109.6(2) . . ?
C24 P2 Ni1 109.0(2) . . ?
Ni2 P2 Ni1 126.61(8) . . ?
C40 P3 C39 102.9(3) . . ?
C40 P3 Ni3 107.5(2) . . ?
C39 P3 Ni3 99.3(2) . . ?
C40 P3 Ni2 112.1(2) . . ?
C39 P3 Ni2 106.1(2) . . ?
Ni3 P3 Ni2 125.79(8) . . ?
C1 O1 Ni1 128.6(4) . . ?
C16 O2 Ni2 126.7(4) . . ?
C31 O3 Ni3 128.2(4) . . ?
C7 N1 C8 117.5(5) . . ?
C7 N1 Ni1 125.4(5) . . ?
C8 N1 Ni1 116.9(4) . . ?
C22 N2 C23 118.1(5) . . ?
C22 N2 Ni2 124.7(5) . . ?
C23 N2 Ni2 117.3(4) . . ?
C37 N3 C38 116.4(5) . . ?
C37 N3 Ni3 124.4(5) . . ?
C38 N3 Ni3 119.2(4) . . ?
O1 C1 C2 119.9(6) . . ?
O1 C1 C6 122.9(6) . . ?
C2 C1 C6 117.3(6) . . ?
C3 C2 C1 121.8(6) . . ?
C2 C3 C4 121.4(7) . . ?
C5 C4 C3 117.2(6) . . ?
C4 C5 C6 122.9(7) . . ?
C5 C6 C1 119.1(6) . . ?
C5 C6 C7 118.2(6) . . ?
C1 C6 C7 122.8(6) . . ?
N1 C7 C6 126.0(6) . . ?
N1 C8 C9 108.8(5) . . ?
C8 C9 P1 105.5(4) . . ?
C15 C10 C11 119.5(6) . . ?
C15 C10 P1 118.5(5) . . ?
C11 C10 P1 122.0(5) . . ?
C12 C11 C10 119.1(6) . . ?
C13 C12 C11 121.3(7) . . ?
C14 C13 C12 119.7(6) . . ?
C13 C14 C15 120.1(6) . . ?
C10 C15 C14 120.2(6) . . ?
O2 C16 C21 122.9(6) . . ?
O2 C16 C17 118.6(6) . . ?
C21 C16 C17 118.5(6) . . ?
C18 C17 C16 120.9(6) . . ?
C17 C18 C19 121.6(6) . . ?
C20 C19 C18 117.9(6) . . ?
C19 C20 C21 122.4(6) . . ?
C16 C21 C20 118.5(6) . . ?
C16 C21 C22 122.3(6) . . ?
C20 C21 C22 119.2(6) . . ?
N2 C22 C21 126.6(6) . . ?
N2 C23 C24 110.2(5) . . ?
C23 C24 P2 106.1(4) . . ?
C26 C25 C30 118.1(6) . . ?
C26 C25 P2 120.8(5) . . ?
C30 C25 P2 121.1(5) . . ?
C25 C26 C27 120.9(7) . . ?
C28 C27 C26 119.7(7) . . ?
C27 C28 C29 119.8(7) . . ?
C28 C29 C30 121.0(7) . . ?
C29 C30 C25 120.4(6) . . ?
O3 C31 C32 120.3(6) . . ?
O3 C31 C36 122.6(6) . . ?
C32 C31 C36 117.1(6) . . ?
C33 C32 C31 123.0(6) . . ?
C34 C33 C32 119.4(7) . . ?
C33 C34 C35 121.5(7) . . ?
C34 C35 C36 119.4(6) . . ?
C35 C36 C37 118.4(6) . . ?
C35 C36 C31 119.5(6) . . ?
C37 C36 C31 121.9(6) . . ?
N3 C37 C36 127.4(6) . . ?
N3 C38 C39 110.7(5) . . ?
C38 C39 P3 108.6(4) . . ?
C41 C40 C45 118.5(6) . . ?
C41 C40 P3 123.2(5) . . ?
C45 C40 P3 118.4(5) . . ?
C40 C41 C42 120.4(6) . . ?
C43 C42 C41 119.7(7) . . ?
C44 C43 C42 120.2(7) . . ?
C43 C44 C45 120.5(7) . . ?
C44 C45 C40 120.6(6) . . ?
Cl3 C46 Cl2 111.4(6) . . ?
Cl3 C46 Cl1 111.1(5) . . ?
Cl2 C46 Cl1 109.5(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 O1 1.882(4) . ?
Ni1 N1 1.919(5) . ?
Ni1 P1 2.162(2) . ?
Ni1 P2 2.202(2) . ?
Ni2 O2 1.873(4) . ?
Ni2 N2 1.919(5) . ?
Ni2 P2 2.176(2) . ?
Ni2 P3 2.193(2) . ?
Ni3 O3 1.891(4) . ?
Ni3 N3 1.901(5) . ?
Ni3 P3 2.182(2) . ?
Ni3 P1 2.185(2) . ?
Cl1 C46 1.762(9) . ?
Cl2 C46 1.744(10) . ?
Cl3 C46 1.740(10) . ?
P1 C10 1.830(6) . ?
P1 C9 1.840(6) . ?
P2 C25 1.836(6) . ?
P2 C24 1.860(6) . ?
P3 C40 1.847(6) . ?
P3 C39 1.852(6) . ?
O1 C1 1.312(7) . ?
O2 C16 1.320(7) . ?
O3 C31 1.302(7) . ?
N1 C7 1.292(8) . ?
N1 C8 1.481(7) . ?
N2 C22 1.287(8) . ?
N2 C23 1.469(7) . ?
N3 C37 1.289(8) . ?
N3 C38 1.495(8) . ?
C1 C2 1.396(8) . ?
C1 C6 1.424(8) . ?
C2 C3 1.378(9) . ?
C3 C4 1.398(9) . ?
C4 C5 1.383(9) . ?
C5 C6 1.398(9) . ?
C6 C7 1.423(9) . ?
C8 C9 1.519(8) . ?
C10 C15 1.386(8) . ?
C10 C11 1.405(8) . ?
C11 C12 1.385(9) . ?
C12 C13 1.381(9) . ?
C13 C14 1.376(9) . ?
C14 C15 1.397(9) . ?
C16 C21 1.402(9) . ?
C16 C17 1.414(9) . ?
C17 C18 1.365(9) . ?
C18 C19 1.396(9) . ?
C19 C20 1.372(9) . ?
C20 C21 1.417(9) . ?
C21 C22 1.418(9) . ?
C23 C24 1.509(8) . ?
C25 C26 1.385(9) . ?
C25 C30 1.387(9) . ?
C26 C27 1.397(9) . ?
C27 C28 1.365(11) . ?
C28 C29 1.367(10) . ?
C29 C30 1.379(8) . ?
C31 C32 1.385(9) . ?
C31 C36 1.441(9) . ?
C32 C33 1.380(9) . ?
C33 C34 1.375(9) . ?
C34 C35 1.377(10) . ?
C35 C36 1.424(8) . ?
C36 C37 1.428(9) . ?
C38 C39 1.506(8) . ?
C40 C41 1.387(9) . ?
C40 C45 1.394(8) . ?
C41 C42 1.397(9) . ?
C42 C43 1.382(9) . ?
C43 C44 1.363(10) . ?
C44 C45 1.381(9) . ?
