#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:41:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178911 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/40/4114043.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_4114043
loop_
_publ_author_name
'Hongyi Hou'
'Peter K. Gantzel'
'Clifford P. Kubiak'
_publ_section_title
;
 Hydrocarbation Chemistry Proceeding from Nickel Carbenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9564
_journal_page_last               9565
_journal_paper_doi               10.1021/ja030108p
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C54 H68 B2 Cl F8 N Ni O P3'
_chemical_formula_weight         1107.78
_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                103.697(3)
_cell_angle_beta                 99.503(3)
_cell_angle_gamma                95.084(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9342(16)
_cell_length_b                   13.0238(19)
_cell_length_c                   20.049(3)
_cell_measurement_reflns_used    2642
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.42
_cell_measurement_theta_min      2.13
_cell_volume                     2711.4(7)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0525
_diffrn_reflns_av_sigmaI/netI    0.0788
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15605
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_meas      0
_exptl_crystal_description       block
_exptl_crystal_F_000             1158
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.771
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         7063
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0685
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1081P)²+2.4011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1836
_refine_ls_wR_factor_ref         0.1970
_reflns_number_gt                5241
_reflns_number_total             7063
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja030108p_3.cif
_cod_data_source_block           sad
_cod_database_code               4114043
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
C1X C 0.5324(11) -0.0314(8) 0.4782(7) 0.091(4) Uani 1 1 d .
H1XA H 0.5597 -0.0860 0.4997 0.110 Uiso 1 1 d R
H1XB H 0.4752 -0.0655 0.4353 0.110 Uiso 1 1 d R
Cl1 Cl 0.6623(2) 0.03662(16) 0.45883(13) 0.0617(6) Uani 1 1 d .
Ni1 Ni 0.20124(7) 0.54869(6) 0.29876(4) 0.0168(2) Uani 1 1 d .
P1 P 0.37398(14) 0.54499(12) 0.37301(8) 0.0183(4) Uani 1 1 d .
P2 P 0.15179(15) 0.66132(12) 0.38819(8) 0.0193(4) Uani 1 1 d .
P3 P -0.00113(14) 0.53997(13) 0.25473(8) 0.0204(4) Uani 1 1 d .
N1 N 0.2944(4) 0.4929(4) 0.1744(2) 0.0202(12) Uani 1 1 d .
H1C H 0.2984 0.5626 0.1821 0.024 Uiso 1 1 calc R
C1 C 0.3329(6) 0.5771(5) 0.4604(3) 0.0218(14) Uani 1 1 d .
H1A H 0.2772 0.5165 0.4656 0.026 Uiso 1 1 calc R
H1B H 0.4096 0.5901 0.4969 0.026 Uiso 1 1 calc R
C2 C 0.2665(6) 0.6768(5) 0.4690(3) 0.0229(15) Uani 1 1 d .
H2A H 0.3279 0.7412 0.4771 0.027 Uiso 1 1 calc R
H2B H 0.2239 0.6844 0.5095 0.027 Uiso 1 1 calc R
C3 C 0.0038(6) 0.5988(5) 0.4004(3) 0.0222(14) Uani 1 1 d .
H3A H 0.0198 0.5429 0.4255 0.027 Uiso 1 1 calc R
H3B H -0.0373 0.6529 0.4292 0.027 Uiso 1 1 calc R
C4 C -0.0823(6) 0.5493(6) 0.3297(3) 0.0321(17) Uani 1 1 d .
H4A H -0.1515 0.5925 0.3240 0.039 Uiso 1 1 calc R
H4B H -0.1195 0.4769 0.3291 0.039 Uiso 1 1 calc R
C5 C 0.2464(5) 0.4543(5) 0.2210(3) 0.0178(14) Uani 1 1 d .
C6 C 0.2358(6) 0.3363(5) 0.2145(3) 0.0245(15) Uani 1 1 d .
H6A H 0.1900 0.3218 0.2506 0.029 Uiso 1 1 calc R
H6B H 0.3215 0.3186 0.2266 0.029 Uiso 1 1 calc R
C7 C 0.1726(6) 0.2579(5) 0.1446(3) 0.0309(16) Uani 1 1 d .
H7A H 0.2099 0.2767 0.1066 0.037 Uiso 1 1 calc R
H7B H 0.0826 0.2659 0.1353 0.037 Uiso 1 1 calc R
C8 C 0.1854(6) 0.1406(5) 0.1429(4) 0.0322(17) Uani 1 1 d .
C9 C 0.1053(8) 0.0740(6) 0.0741(4) 0.046(2) Uani 1 1 d .
H9A H 0.1353 0.0942 0.0350 0.069 Uiso 1 1 calc R
H9B H 0.0180 0.0867 0.0728 0.069 Uiso 1 1 calc R
H9C H 0.1110 -0.0017 0.0704 0.069 Uiso 1 1 calc R
C10 C 0.1357(7) 0.1072(6) 0.2039(4) 0.0393(18) Uani 1 1 d .
H10A H 0.1450 0.0323 0.2011 0.059 Uiso 1 1 calc R
H10B H 0.0471 0.1165 0.2005 0.059 Uiso 1 1 calc R
H10C H 0.1835 0.1519 0.2487 0.059 Uiso 1 1 calc R
C11 C 0.3201(7) 0.1191(6) 0.1453(4) 0.0409(19) Uani 1 1 d .
H11A H 0.3516 0.1403 0.1068 0.061 Uiso 1 1 calc R
H11B H 0.3241 0.0429 0.1405 0.061 Uiso 1 1 calc R
H11C H 0.3716 0.1603 0.1900 0.061 Uiso 1 1 calc R
F5 F 0.1107(3) 0.3856(3) 0.45590(19) 0.0325(9) Uani 1 1 d .
F6 F -0.0935(3) 0.3453(3) 0.4015(2) 0.0415(10) Uani 1 1 d .
F7 F 0.0559(4) 0.2654(3) 0.35006(19) 0.0413(10) Uani 1 1 d .
F8 F 0.0046(4) 0.2239(3) 0.44656(19) 0.0367(10) Uani 1 1 d .
B2 B 0.0178(7) 0.3044(6) 0.4133(4) 0.0265(18) Uani 1 1 d .
F1 F 0.3255(5) 0.8030(5) 0.0975(2) 0.0781(17) Uani 1 1 d .
F2 F 0.5070(3) 0.7816(3) 0.1615(2) 0.0411(10) Uani 1 1 d .
F3 F 0.3253(4) 0.7059(4) 0.1783(3) 0.0747(17) Uani 1 1 d .
F4 F 0.3721(5) 0.8793(4) 0.2110(3) 0.0727(16) Uani 1 1 d .
B1 B 0.3829(7) 0.7926(6) 0.1593(4) 0.0302(19) Uani 1 1 d .
C1A C 0.5060(6) 0.6441(5) 0.3777(3) 0.0198(14) Uani 1 1 d .
C2A C 0.6093(5) 0.6658(5) 0.4323(3) 0.0219(14) Uani 1 1 d .
H2AA H 0.6107 0.6305 0.4688 0.026 Uiso 1 1 calc R
C3A C 0.7101(6) 0.7389(5) 0.4333(3) 0.0273(16) Uani 1 1 d .
H3AA H 0.7809 0.7535 0.4702 0.033 Uiso 1 1 calc R
C4A C 0.7074(6) 0.7903(5) 0.3808(4) 0.0336(17) Uani 1 1 d .
H4AA H 0.7766 0.8408 0.3820 0.040 Uiso 1 1 calc R
C5A C 0.6063(6) 0.7700(5) 0.3263(3) 0.0297(16) Uani 1 1 d .
H5AA H 0.6060 0.8057 0.2901 0.036 Uiso 1 1 calc R
C6A C 0.5049(6) 0.6969(5) 0.3249(3) 0.0243(15) Uani 1 1 d .
H6AA H 0.4344 0.6830 0.2877 0.029 Uiso 1 1 calc R
C1B C 0.4382(5) 0.4191(5) 0.3689(3) 0.0190(14) Uani 1 1 d .
C2B C 0.3623(6) 0.3334(5) 0.3777(3) 0.0253(15) Uani 1 1 d .
H2BA H 0.2801 0.3420 0.3858 0.030 Uiso 1 1 calc R
C3B C 0.4048(6) 0.2372(5) 0.3750(3) 0.0287(16) Uani 1 1 d .
H3BA H 0.3532 0.1801 0.3824 0.034 Uiso 1 1 calc R
C4B C 0.5232(6) 0.2230(5) 0.3613(3) 0.0302(16) Uani 1 1 d .
H4BA H 0.5518 0.1556 0.3581 0.036 Uiso 1 1 calc R
C5B C 0.5991(6) 0.3063(5) 0.3522(3) 0.0303(17) Uani 1 1 d .
H5BA H 0.6806 0.2963 0.3435 0.036 Uiso 1 1 calc R
C6B C 0.5584(6) 0.4048(5) 0.3557(3) 0.0235(15) Uani 1 1 d .
H6BA H 0.6113 0.4621 0.3492 0.028 Uiso 1 1 calc R
C1C C -0.0419(5) 0.6482(5) 0.2175(3) 0.0218(15) Uani 1 1 d .
C2C C 0.0474(6) 0.6957(5) 0.1861(3) 0.0302(16) Uani 1 1 d .
H2CA H 0.1262 0.6703 0.1858 0.036 Uiso 1 1 calc R
C3C C 0.0217(6) 0.7781(5) 0.1561(4) 0.0324(17) Uani 1 1 d .
H3CA H 0.0819 0.8080 0.1345 0.039 Uiso 1 1 calc R
C4C C -0.0911(7) 0.8171(5) 0.1573(4) 0.0343(17) Uani 1 1 d .
H4CA H -0.1080 0.8752 0.1377 0.041 Uiso 1 1 calc R
C5C C -0.1794(6) 0.7715(5) 0.1872(4) 0.0337(17) Uani 1 1 d .
H5CA H -0.2572 0.7985 0.1881 0.040 Uiso 1 1 calc R
C6C C -0.1559(6) 0.6873(5) 0.2159(3) 0.0303(16) Uani 1 1 d .
H6CA H -0.2189 0.6554 0.2349 0.036 Uiso 1 1 calc R
C1D C -0.0823(5) 0.4196(5) 0.1898(3) 0.0215(14) Uani 1 1 d .
C2D C -0.1043(6) 0.3243(5) 0.2082(4) 0.0308(17) Uani 1 1 d .
H2DA H -0.0788 0.3212 0.2553 0.037 Uiso 1 1 calc R
C3D C -0.1634(6) 0.2340(6) 0.1577(4) 0.0362(18) Uani 1 1 d .
H3DA H -0.1818 0.1697 0.1708 0.043 Uiso 1 1 calc R
C4D C -0.1959(6) 0.2359(6) 0.0891(4) 0.0394(19) Uani 1 1 d .
H4DA H -0.2333 0.1727 0.0546 0.047 Uiso 1 1 calc R
C5D C -0.1738(6) 0.3306(6) 0.0705(4) 0.0332(17) Uani 1 1 d .
H5DA H -0.1979 0.3327 0.0231 0.040 Uiso 1 1 calc R
C6D C -0.1169(6) 0.4218(5) 0.1204(3) 0.0253(15) Uani 1 1 d .
H6DA H -0.1014 0.4865 0.1072 0.030 Uiso 1 1 calc R
C1E C 0.1348(6) 0.7953(5) 0.3789(3) 0.0218(14) Uani 1 1 d .
C2E C 0.0580(6) 0.8590(5) 0.4152(3) 0.0238(15) Uani 1 1 d .
H2EA H 0.0115 0.8321 0.4449 0.029 Uiso 1 1 calc R
C3E C 0.0502(6) 0.9602(5) 0.4076(3) 0.0269(16) Uani 1 1 d .
H3EA H -0.0049 1.0020 0.4306 0.032 Uiso 1 1 calc R
C4E C 0.1214(6) 1.0023(5) 0.3669(4) 0.0309(16) Uani 1 1 d .
H4EA H 0.1165 1.0731 0.3630 0.037 Uiso 1 1 calc R
C5E C 0.2005(6) 0.9403(5) 0.3316(3) 0.0301(16) Uani 1 1 d .
H5EA H 0.2489 0.9683 0.3032 0.036 Uiso 1 1 calc R
C6E C 0.2076(6) 0.8376(5) 0.3387(3) 0.0300(16) Uani 1 1 d .
H6EA H 0.2627 0.7957 0.3158 0.036 Uiso 1 1 calc R
C1F C 0.3422(6) 0.4422(5) 0.1126(3) 0.0225(15) Uani 1 1 d .
C2F C 0.2677(6) 0.4340(5) 0.0480(3) 0.0282(16) Uani 1 1 d .
C3F C 0.3160(7) 0.3920(6) -0.0120(4) 0.0391(19) Uani 1 1 d .
H3FA H 0.2679 0.3862 -0.0570 0.047 Uiso 1 1 calc R
C4F C 0.4318(7) 0.3593(6) -0.0058(4) 0.0407(19) Uani 1 1 d .
H4FA H 0.4629 0.3303 -0.0468 0.049 Uiso 1 1 calc R
C5F C 0.5042(7) 0.3677(6) 0.0587(4) 0.0383(18) Uani 1 1 d .
H5FA H 0.5836 0.3430 0.0617 0.046 Uiso 1 1 calc R
C6F C 0.4620(6) 0.4121(6) 0.1195(3) 0.0307(16) Uani 1 1 d .
C7F C 0.5454(7) 0.4259(7) 0.1907(4) 0.050(2) Uani 1 1 d .
H7FA H 0.5013 0.4577 0.2277 0.075 Uiso 1 1 calc R
H7FB H 0.6227 0.4726 0.1942 0.075 Uiso 1 1 calc R
H7FC H 0.5657 0.3561 0.1961 0.075 Uiso 1 1 calc R
C8F C 0.1424(7) 0.4700(7) 0.0426(4) 0.047(2) Uani 1 1 d .
H8FA H 0.1252 0.4968 0.0896 0.071 Uiso 1 1 calc R
H8FB H 0.0788 0.4100 0.0163 0.071 Uiso 1 1 calc R
H8FC H 0.1404 0.5271 0.0183 0.071 Uiso 1 1 calc R
O1 O 0.7098(4) 0.0021(4) 0.1723(2) 0.0336(11) Uani 1 1 d .
C2G C 0.6813(7) 0.0470(6) 0.2383(3) 0.0362(18) Uani 1 1 d .
H2GA H 0.6100 0.0020 0.2462 0.043 Uiso 1 1 calc R
H2GB H 0.6573 0.1190 0.2401 0.043 Uiso 1 1 calc R
C3G C 0.7948(8) 0.0540(7) 0.2941(4) 0.049(2) Uani 1 1 d .
H3GA H 0.7767 0.0870 0.3401 0.074 Uiso 1 1 calc R
H3GB H 0.8655 0.0973 0.2854 0.074 Uiso 1 1 calc R
H3GC H 0.8161 -0.0178 0.2932 0.074 Uiso 1 1 calc R
C4G C 0.6097(7) -0.0022(6) 0.1154(4) 0.0379(18) Uani 1 1 d .
H4GA H 0.5932 0.0708 0.1139 0.045 Uiso 1 1 calc R
H4GB H 0.5325 -0.0418 0.1214 0.045 Uiso 1 1 calc R
C5G C 0.6470(9) -0.0567(6) 0.0501(4) 0.053(2) Uani 1 1 d .
H5GA H 0.5792 -0.0617 0.0104 0.079 Uiso 1 1 calc R
H5GB H 0.6642 -0.1285 0.0524 0.079 Uiso 1 1 calc R
H5GC H 0.7225 -0.0161 0.0441 0.079 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
Ni Ni 0.3393 1.1124 '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
C1X C1X Cl1 115.1(10) 2_656
C5 Ni1 P2 178.54(19) .
C5 Ni1 P1 94.61(17) .
P2 Ni1 P1 85.23(6) .
C5 Ni1 P3 98.26(17) .
P2 Ni1 P3 82.28(6) .
P1 Ni1 P3 159.91(7) .
C1A P1 C1B 105.8(3) .
C1A P1 C1 105.6(3) .
C1B P1 C1 103.0(3) .
C1A P1 Ni1 115.8(2) .
C1B P1 Ni1 119.41(19) .
C1 P1 Ni1 105.7(2) .
C1E P2 C3 109.5(3) .
C1E P2 C2 106.4(3) .
C3 P2 C2 107.3(3) .
C1E P2 Ni1 116.5(2) .
C3 P2 Ni1 105.2(2) .
C2 P2 Ni1 111.6(2) .
C1C P3 C1D 104.8(3) .
C1C P3 C4 106.0(3) .
C1D P3 C4 104.5(3) .
C1C P3 Ni1 115.0(2) .
C1D P3 Ni1 119.6(2) .
C4 P3 Ni1 105.8(2) .
C5 N1 C1F 132.3(5) .
C2 C1 P1 109.0(4) .
C1 C2 P2 107.5(4) .
C4 C3 P2 110.2(4) .
C3 C4 P3 113.3(4) .
N1 C5 C6 119.2(5) .
N1 C5 Ni1 120.0(4) .
C6 C5 Ni1 120.7(4) .
C5 C6 C7 119.7(5) .
C6 C7 C8 113.5(5) .
C11 C8 C9 109.2(6) .
C11 C8 C7 111.5(6) .
C9 C8 C7 106.4(6) .
C11 C8 C10 109.5(6) .
C9 C8 C10 108.4(6) .
C7 C8 C10 111.7(6) .
F8 B2 F6 110.4(6) .
F8 B2 F7 109.8(5) .
F6 B2 F7 110.0(6) .
F8 B2 F5 108.8(6) .
F6 B2 F5 109.5(5) .
F7 B2 F5 108.3(6) .
F1 B1 F4 109.5(7) .
F1 B1 F2 112.8(6) .
F4 B1 F2 109.4(6) .
F1 B1 F3 112.5(7) .
F4 B1 F3 103.9(6) .
F2 B1 F3 108.3(6) .
C6A C1A C2A 119.5(6) .
C6A C1A P1 119.4(5) .
C2A C1A P1 121.1(5) .
C3A C2A C1A 119.8(6) .
C4A C3A C2A 119.9(6) .
C3A C4A C5A 121.2(6) .
C4A C5A C6A 119.3(6) .
C5A C6A C1A 120.2(6) .
C2B C1B C6B 119.1(6) .
C2B C1B P1 117.9(5) .
C6B C1B P1 123.0(5) .
C3B C2B C1B 120.7(6) .
C2B C3B C4B 120.1(6) .
C5B C4B C3B 120.0(6) .
C4B C5B C6B 120.8(6) .
C5B C6B C1B 119.3(6) .
C6C C1C C2C 117.3(6) .
C6C C1C P3 124.6(5) .
C2C C1C P3 118.1(5) .
C3C C2C C1C 121.0(6) .
C2C C3C C4C 120.2(6) .
C3C C4C C5C 119.6(6) .
C6C C5C C4C 120.7(6) .
C5C C6C C1C 121.1(6) .
C6D C1D C2D 119.4(6) .
C6D C1D P3 119.7(5) .
C2D C1D P3 120.9(5) .
C3D C2D C1D 119.6(6) .
C4D C3D C2D 121.0(7) .
C3D C4D C5D 119.6(7) .
C6D C5D C4D 120.2(7) .
C5D C6D C1D 120.2(6) .
C6E C1E C2E 119.5(6) .
C6E C1E P2 118.5(5) .
C2E C1E P2 121.8(5) .
C3E C2E C1E 119.7(6) .
C2E C3E C4E 120.9(6) .
C3E C4E C5E 119.9(6) .
C6E C5E C4E 119.2(6) .
C5E C6E C1E 120.7(6) .
C2F C1F C6F 122.5(6) .
C2F C1F N1 117.0(5) .
C6F C1F N1 120.3(5) .
C1F C2F C3F 117.7(6) .
C1F C2F C8F 121.0(6) .
C3F C2F C8F 121.3(6) .
C4F C3F C2F 120.3(7) .
C3F C4F C5F 121.3(7) .
C4F C5F C6F 120.5(7) .
C5F C6F C1F 117.8(6) .
C5F C6F C7F 120.1(6) .
C1F C6F C7F 122.1(6) .
C2G O1 C4G 113.0(5) .
O1 C2G C3G 108.8(6) .
O1 C4G C5G 108.0(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1X C1X 1.378(18) 2_656
C1X Cl1 1.754(10) .
Ni1 C5 1.908(6) .
Ni1 P2 2.2077(17) .
Ni1 P1 2.2154(17) .
Ni1 P3 2.2252(17) .
P1 C1A 1.823(6) .
P1 C1B 1.829(6) .
P1 C1 1.841(6) .
P2 C1E 1.820(6) .
P2 C3 1.826(6) .
P2 C2 1.835(6) .
P3 C1C 1.801(6) .
P3 C1D 1.830(6) .
P3 C4 1.854(6) .
N1 C5 1.318(8) .
N1 C1F 1.461(8) .
C1 C2 1.531(8) .
C3 C4 1.527(9) .
C5 C6 1.503(8) .
C6 C7 1.536(9) .
C7 C8 1.539(9) .
C8 C11 1.518(10) .
C8 C9 1.523(10) .
C8 C10 1.553(10) .
F5 B2 1.405(9) .
F6 B2 1.379(8) .
F7 B2 1.395(8) .
F8 B2 1.378(8) .
F1 B1 1.335(9) .
F2 B1 1.371(9) .
F3 B1 1.406(9) .
F4 B1 1.370(9) .
C1A C6A 1.392(9) .
C1A C2A 1.395(9) .
C2A C3A 1.386(9) .
C3A C4A 1.372(9) .
C4A C5A 1.377(10) .
C5A C6A 1.388(9) .
C1B C2B 1.395(9) .
C1B C6B 1.402(8) .
C2B C3B 1.367(9) .
C3B C4B 1.386(9) .
C4B C5B 1.371(10) .
C5B C6B 1.385(9) .
C1C C6C 1.386(8) .
C1C C2C 1.418(9) .
C2C C3C 1.376(9) .
C3C C4C 1.377(9) .
C4C C5C 1.379(10) .
C5C C6C 1.379(9) .
C1D C6D 1.388(9) .
C1D C2D 1.388(9) .
C2D C3D 1.383(10) .
C3D C4D 1.369(10) .
C4D C5D 1.383(10) .
C5D C6D 1.379(9) .
C1E C6E 1.390(9) .
C1E C2E 1.401(8) .
C2E C3E 1.370(9) .
C3E C4E 1.385(9) .
C4E C5E 1.399(9) .
C5E C6E 1.386(9) .
C1F C2F 1.386(9) .
C1F C6F 1.395(9) .
C2F C3F 1.405(10) .
C2F C8F 1.483(9) .
C3F C4F 1.367(10) .
C4F C5F 1.374(10) .
C5F C6F 1.391(9) .
C6F C7F 1.524(10) .
O1 C2G 1.411(8) .
O1 C4G 1.431(8) .
C2G C3G 1.509(11) .
C4G C5G 1.474(10) .
