#------------------------------------------------------------------------------
#$Date: 2022-03-05 00:06:51 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273350 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/63/1566334.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_1566334
loop_
_publ_author_name
'Deziel, Anthony P.'
'Espinosa, Matthew R.'
'Pavlovic, Ljiljana'
'Charboneau, David J.'
'Hazari, Nilay'
'Hopmann, Kathrin H.'
'Mercado, Brandon Q.'
_publ_section_title
;
 Ligand and solvent effects on CO2 insertion into group 10 metal alkyl
 bonds
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              2391
_journal_page_last               2404
_journal_paper_doi               10.1039/D1SC06346D
_journal_volume                  13
_journal_year                    2022
_chemical_formula_sum            'C34.67 H59 B N2 Ni P2'
_chemical_formula_weight         635.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     SHELXT
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-09-03 deposited with the CCDC.	2022-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.639(5)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   23.1838(12)
_cell_length_b                   26.0619(11)
_cell_length_c                   17.5360(7)
_cell_measurement_reflns_used    11558
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      24.9800
_cell_measurement_theta_min      3.2350
_cell_volume                     10377.6(8)
_computing_cell_refinement       'CrysAlisPro 1.171.39.31a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.31a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.31a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 5.8
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Dectris Pilatus 3R'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1014
_diffrn_reflns_av_unetI/netI     0.0758
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36095
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        25.204
_diffrn_reflns_theta_max         25.204
_diffrn_reflns_theta_min         2.952
_diffrn_source                   'microfocus rotating anode'
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.39.31a (Rigaku Oxford Diffraction, 2017) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_description       Block
_exptl_crystal_F_000             4128
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.476
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1105
_refine_ls_number_reflns         36095
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1464
_refine_ls_R_factor_gt           0.0945
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1826P)²+55.8112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2577
_refine_ls_wR_factor_ref         0.3333
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23932
_reflns_number_total             36095
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc06346d3.cif
_cod_data_source_block           007c-18066
_cod_depositor_comments
'Adding full bibliography for 1566334--1566339.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1566334
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.935
loop_
_space_group_symop_operation_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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.95739(5) 0.71534(4) 0.81604(6) 0.0180(3) Uani 1 1 d . . . . .
P1 P 0.99454(10) 0.75459(8) 0.92230(13) 0.0184(5) Uani 1 1 d . . . . .
P2 P 0.90952(10) 0.65844(9) 0.74107(13) 0.0189(5) Uani 1 1 d . . . . .
N1 N 0.9295(3) 0.6858(3) 0.9715(4) 0.0214(17) Uani 1 1 d . . . . .
N2 N 0.8845(3) 0.6330(3) 0.8736(4) 0.0214(16) Uani 1 1 d . . . . .
C1 C 0.9922(5) 0.7565(4) 0.7388(5) 0.031(2) Uani 1 1 d . . . . .
H1A H 0.9796 0.7923 0.7399 0.046 Uiso 1 1 calc R U . . .
H1B H 0.9786 0.7424 0.6865 0.046 Uiso 1 1 calc R U . . .
H1C H 1.0352 0.7547 0.7527 0.046 Uiso 1 1 calc R U . . .
B2 B 0.9231(4) 0.6759(4) 0.8886(6) 0.018(2) Uani 1 1 d . . . . .
C3 C 0.8958(4) 0.6504(3) 1.0033(6) 0.024(2) Uani 1 1 d . . . . .
C4 C 0.8874(4) 0.6444(4) 1.0778(6) 0.028(2) Uani 1 1 d . . . . .
H4 H 0.9059 0.6664 1.1186 0.034 Uiso 1 1 calc R U . . .
C5 C 0.8505(5) 0.6045(4) 1.0916(6) 0.039(3) Uani 1 1 d . . . . .
H5 H 0.8428 0.6005 1.1425 0.047 Uiso 1 1 calc R U . . .
C6 C 0.8245(5) 0.5704(4) 1.0336(6) 0.037(3) Uani 1 1 d . . . . .
H6 H 0.8009 0.5430 1.0456 0.044 Uiso 1 1 calc R U . . .
C7 C 0.8332(4) 0.5768(4) 0.9576(6) 0.030(2) Uani 1 1 d . . . . .
H7 H 0.8152 0.5540 0.9174 0.036 Uiso 1 1 calc R U . . .
C8 C 0.8684(4) 0.6166(4) 0.9415(5) 0.025(2) Uani 1 1 d . . . . .
C9 C 0.9701(4) 0.7250(4) 1.0081(5) 0.024(2) Uani 1 1 d . . . . .
H9A H 1.0037 0.7098 1.0451 0.029 Uiso 1 1 calc R U . . .
H9B H 0.9501 0.7504 1.0358 0.029 Uiso 1 1 calc R U . . .
C10 C 0.8637(4) 0.6166(3) 0.7925(5) 0.0224(19) Uani 1 1 d . . . . .
H10A H 0.8211 0.6235 0.7746 0.027 Uiso 1 1 calc R U . . .
H10B H 0.8715 0.5798 0.7855 0.027 Uiso 1 1 calc R U . . .
C11 C 1.0756(4) 0.7507(3) 0.9460(5) 0.023(2) Uani 1 1 d . . . . .
H11 H 1.0897 0.7690 0.9031 0.027 Uiso 1 1 calc R U . . .
C12 C 1.0945(4) 0.6942(3) 0.9418(5) 0.024(2) Uani 1 1 d . . . . .
H12A H 1.0789 0.6741 0.9810 0.029 Uiso 1 1 calc R U . . .
H12B H 1.0770 0.6803 0.8898 0.029 Uiso 1 1 calc R U . . .
C13 C 1.1613(4) 0.6877(4) 0.9562(6) 0.029(2) Uani 1 1 d . . . . .
H13A H 1.1763 0.7023 0.9118 0.035 Uiso 1 1 calc R U . . .
H13B H 1.1711 0.6507 0.9596 0.035 Uiso 1 1 calc R U . . .
C14 C 1.1917(4) 0.7145(4) 1.0316(6) 0.031(2) Uani 1 1 d . . . . .
H14A H 1.1811 0.6967 1.0768 0.038 Uiso 1 1 calc R U . . .
H14B H 1.2350 0.7122 1.0368 0.038 Uiso 1 1 calc R U . . .
C15 C 1.1736(4) 0.7704(4) 1.0318(6) 0.030(2) Uani 1 1 d . . . . .
H15A H 1.1868 0.7885 0.9888 0.036 Uiso 1 1 calc R U . . .
H15B H 1.1934 0.7865 1.0814 0.036 Uiso 1 1 calc R U . . .
C16 C 1.1070(4) 0.7765(4) 1.0225(5) 0.024(2) Uani 1 1 d . . . . .
H16A H 1.0967 0.8133 1.0216 0.029 Uiso 1 1 calc R U . . .
H16B H 1.0938 0.7604 1.0672 0.029 Uiso 1 1 calc R U . . .
C17 C 0.9749(4) 0.8225(3) 0.9328(5) 0.021(2) Uani 1 1 d . . . . .
H17 H 0.9898 0.8325 0.9883 0.025 Uiso 1 1 calc R U . . .
C18 C 1.0026(4) 0.8593(4) 0.8819(6) 0.028(2) Uani 1 1 d . . . . .
H18A H 1.0460 0.8559 0.8953 0.033 Uiso 1 1 calc R U . . .
H18B H 0.9893 0.8498 0.8265 0.033 Uiso 1 1 calc R U . . .
C19 C 0.9857(5) 0.9149(4) 0.8933(6) 0.033(2) Uani 1 1 d . . . . .
H19A H 1.0021 0.9256 0.9475 0.040 Uiso 1 1 calc R U . . .
H19B H 1.0027 0.9373 0.8579 0.040 Uiso 1 1 calc R U . . .
C20 C 0.9193(6) 0.9212(5) 0.8767(7) 0.051(3) Uani 1 1 d . . . . .
H20A H 0.9030 0.9128 0.8215 0.061 Uiso 1 1 calc R U . . .
H20B H 0.9091 0.9572 0.8858 0.061 Uiso 1 1 calc R U . . .
C21 C 0.8921(5) 0.8855(4) 0.9297(6) 0.039(3) Uani 1 1 d . . . . .
H21A H 0.8487 0.8896 0.9184 0.046 Uiso 1 1 calc R U . . .
H21B H 0.9071 0.8948 0.9849 0.046 Uiso 1 1 calc R U . . .
C22 C 0.9083(4) 0.8285(4) 0.9156(5) 0.028(2) Uani 1 1 d . . . . .
H22A H 0.8910 0.8055 0.9499 0.034 Uiso 1 1 calc R U . . .
H22B H 0.8921 0.8188 0.8609 0.034 Uiso 1 1 calc R U . . .
C23 C 0.9550(4) 0.6094(3) 0.7054(5) 0.0211(19) Uani 1 1 d . . . . .
H23 H 0.9280 0.5828 0.6765 0.025 Uiso 1 1 calc R U . . .
C24 C 0.9910(4) 0.6326(4) 0.6488(6) 0.026(2) Uani 1 1 d . . . . .
H24A H 0.9638 0.6464 0.6025 0.031 Uiso 1 1 calc R U . . .
H24B H 1.0152 0.6614 0.6747 0.031 Uiso 1 1 calc R U . . .
C25 C 1.0307(4) 0.5930(4) 0.6235(6) 0.031(2) Uani 1 1 d . . . . .
H25A H 1.0551 0.6094 0.5902 0.038 Uiso 1 1 calc R U . . .
H25B H 1.0063 0.5662 0.5922 0.038 Uiso 1 1 calc R U . . .
C26 C 1.0707(4) 0.5680(4) 0.6936(7) 0.034(2) Uani 1 1 d . . . . .
H26A H 1.0956 0.5418 0.6752 0.041 Uiso 1 1 calc R U . . .
H26B H 1.0971 0.5944 0.7227 0.041 Uiso 1 1 calc R U . . .
C27 C 1.0358(5) 0.5435(4) 0.7466(6) 0.032(2) Uani 1 1 d . . . . .
H27A H 1.0629 0.5290 0.7926 0.039 Uiso 1 1 calc R U . . .
H27B H 1.0119 0.5151 0.7191 0.039 Uiso 1 1 calc R U . . .
C28 C 0.9953(4) 0.5833(4) 0.7732(5) 0.028(2) Uani 1 1 d . . . . .
H28A H 0.9710 0.5662 0.8062 0.034 Uiso 1 1 calc R U . . .
H28B H 1.0197 0.6096 0.8054 0.034 Uiso 1 1 calc R U . . .
C29 C 0.8566(4) 0.6849(3) 0.6575(5) 0.0186(18) Uani 1 1 d . . . . .
H29 H 0.8802 0.7037 0.6245 0.022 Uiso 1 1 calc R U . . .
C30 C 0.8185(4) 0.6449(4) 0.6039(5) 0.027(2) Uani 1 1 d . . . . .
H30A H 0.8442 0.6216 0.5810 0.032 Uiso 1 1 calc R U . . .
H30B H 0.7959 0.6239 0.6347 0.032 Uiso 1 1 calc R U . . .
C31 C 0.7759(4) 0.6731(4) 0.5385(5) 0.030(2) Uani 1 1 d . . . . .
H31A H 0.7990 0.6914 0.5054 0.036 Uiso 1 1 calc R U . . .
H31B H 0.7508 0.6475 0.5056 0.036 Uiso 1 1 calc R U . . .
C32 C 0.7371(4) 0.7109(4) 0.5692(6) 0.032(2) Uani 1 1 d . . . . .
H32A H 0.7118 0.6924 0.5993 0.038 Uiso 1 1 calc R U . . .
H32B H 0.7112 0.7283 0.5250 0.038 Uiso 1 1 calc R U . . .
C33 C 0.7746(4) 0.7511(4) 0.6218(6) 0.029(2) Uani 1 1 d . . . . .
H33A H 0.7965 0.7722 0.5902 0.035 Uiso 1 1 calc R U . . .
H33B H 0.7485 0.7742 0.6442 0.035 Uiso 1 1 calc R U . . .
C34 C 0.8183(4) 0.7249(4) 0.6878(6) 0.028(2) Uani 1 1 d . . . . .
H34A H 0.8441 0.7513 0.7178 0.033 Uiso 1 1 calc R U . . .
H34B H 0.7961 0.7080 0.7235 0.033 Uiso 1 1 calc R U . . .
Ni2 Ni 0.53442(5) 0.71145(4) 0.65812(6) 0.0179(3) Uani 1 1 d . . . . .
P3 P 0.57999(10) 0.65238(9) 0.73194(13) 0.0194(5) Uani 1 1 d . . . . .
P4 P 0.50462(10) 0.75588(8) 0.55473(13) 0.0188(5) Uani 1 1 d . . . . .
N3 N 0.6100(3) 0.6315(3) 0.5999(4) 0.0198(16) Uani 1 1 d . . . . .
N4 N 0.5692(3) 0.6870(3) 0.5052(4) 0.0201(16) Uani 1 1 d . . . . .
C35 C 0.4931(4) 0.7481(3) 0.7336(5) 0.027(2) Uani 1 1 d . . . . .
H35A H 0.5039 0.7845 0.7359 0.041 Uiso 1 1 calc R U . . .
H35B H 0.5051 0.7329 0.7855 0.041 Uiso 1 1 calc R U . . .
H35C H 0.4504 0.7447 0.7161 0.041 Uiso 1 1 calc R U . . .
B36 B 0.5730(4) 0.6755(4) 0.5860(5) 0.0163(19) Uani 1 1 d . . . . .
C37 C 0.6268(4) 0.6159(4) 0.5315(5) 0.023(2) Uani 1 1 d . . . . .
C38 C 0.6602(4) 0.5748(4) 0.5151(6) 0.026(2) Uani 1 1 d . . . . .
H38 H 0.6766 0.5510 0.5546 0.031 Uiso 1 1 calc R U . . .
C39 C 0.6689(5) 0.5692(4) 0.4406(6) 0.035(2) Uani 1 1 d . . . . .
H39 H 0.6924 0.5416 0.4286 0.042 Uiso 1 1 calc R U . . .
C40 C 0.6439(5) 0.6033(4) 0.3823(6) 0.033(2) Uani 1 1 d . . . . .
H40 H 0.6499 0.5980 0.3308 0.039 Uiso 1 1 calc R U . . .
C41 C 0.6102(4) 0.6453(4) 0.3974(6) 0.027(2) Uani 1 1 d . . . . .
H41 H 0.5941 0.6688 0.3574 0.033 Uiso 1 1 calc R U . . .
C42 C 0.6013(4) 0.6512(3) 0.4716(5) 0.0210(19) Uani 1 1 d . . . . .
C43 C 0.6236(4) 0.6091(4) 0.6774(6) 0.027(2) Uani 1 1 d . . . . .
H43A H 0.6663 0.6106 0.6999 0.033 Uiso 1 1 calc R U . . .
H43B H 0.6100 0.5731 0.6770 0.033 Uiso 1 1 calc R U . . .
C44 C 0.5298(4) 0.7270(3) 0.4684(5) 0.0225(19) Uani 1 1 d . . . . .
H44A H 0.4963 0.7126 0.4302 0.027 Uiso 1 1 calc R U . . .
H44B H 0.5507 0.7525 0.4421 0.027 Uiso 1 1 calc R U . . .
C45 C 0.5348(4) 0.6051(3) 0.7716(5) 0.0227(19) Uani 1 1 d . . . . .
H45 H 0.5598 0.5743 0.7892 0.027 Uiso 1 1 calc R U . . .
C46 C 0.5094(4) 0.6245(4) 0.8397(6) 0.031(2) Uani 1 1 d . . . . .
H46A H 0.4866 0.6562 0.8243 0.037 Uiso 1 1 calc R U . . .
H46B H 0.5419 0.6329 0.8838 0.037 Uiso 1 1 calc R U . . .
C47 C 0.4690(4) 0.5836(4) 0.8656(6) 0.034(2) Uani 1 1 d . . . . .
H47A H 0.4926 0.5528 0.8850 0.041 Uiso 1 1 calc R U . . .
H47B H 0.4518 0.5974 0.9086 0.041 Uiso 1 1 calc R U . . .
C48 C 0.4192(5) 0.5684(5) 0.7970(7) 0.040(3) Uani 1 1 d . . . . .
H48A H 0.3942 0.5418 0.8144 0.048 Uiso 1 1 calc R U . . .
H48B H 0.3942 0.5987 0.7798 0.048 Uiso 1 1 calc R U . . .
C49 C 0.4436(6) 0.5480(5) 0.7296(7) 0.045(3) Uani 1 1 d . . . . .
H49A H 0.4108 0.5392 0.6860 0.054 Uiso 1 1 calc R U . . .
H49B H 0.4666 0.5164 0.7456 0.054 Uiso 1 1 calc R U . . .
C50 C 0.4834(5) 0.5883(4) 0.7024(6) 0.039(3) Uani 1 1 d . . . . .
H50A H 0.4597 0.6187 0.6821 0.047 Uiso 1 1 calc R U . . .
H50B H 0.5005 0.5739 0.6596 0.047 Uiso 1 1 calc R U . . .
C51 C 0.6346(4) 0.6786(4) 0.8140(5) 0.025(2) Uani 1 1 d . . . . .
H51 H 0.6121 0.6976 0.8480 0.031 Uiso 1 1 calc R U . . .
C52 C 0.6735(4) 0.6389(3) 0.8664(5) 0.026(2) Uani 1 1 d . . . . .
H52A H 0.6964 0.6187 0.8351 0.031 Uiso 1 1 calc R U . . .
H52B H 0.6483 0.6150 0.8892 0.031 Uiso 1 1 calc R U . . .
C53 C 0.7158(4) 0.6675(4) 0.9322(6) 0.033(2) Uani 1 1 d . . . . .
H53A H 0.6927 0.6861 0.9651 0.040 Uiso 1 1 calc R U . . .
H53B H 0.7412 0.6423 0.9655 0.040 Uiso 1 1 calc R U . . .
C54 C 0.7543(4) 0.7055(4) 0.8988(6) 0.031(2) Uani 1 1 d . . . . .
H54A H 0.7796 0.6864 0.8694 0.038 Uiso 1 1 calc R U . . .
H54B H 0.7803 0.7237 0.9421 0.038 Uiso 1 1 calc R U . . .
C55 C 0.7174(4) 0.7450(4) 0.8447(6) 0.030(2) Uani 1 1 d . . . . .
H55A H 0.6968 0.7678 0.8757 0.036 Uiso 1 1 calc R U . . .
H55B H 0.7436 0.7664 0.8199 0.036 Uiso 1 1 calc R U . . .
C56 C 0.6720(4) 0.7182(4) 0.7817(5) 0.026(2) Uani 1 1 d . . . . .
H56A H 0.6457 0.7445 0.7523 0.031 Uiso 1 1 calc R U . . .
H56B H 0.6929 0.7010 0.7449 0.031 Uiso 1 1 calc R U . . .
C57 C 0.4234(4) 0.7600(3) 0.5258(5) 0.024(2) Uani 1 1 d . . . . .
H57 H 0.4095 0.7806 0.5668 0.029 Uiso 1 1 calc R U . . .
C58 C 0.3990(4) 0.7051(4) 0.5297(6) 0.029(2) Uani 1 1 d . . . . .
H58A H 0.4147 0.6828 0.4929 0.035 Uiso 1 1 calc R U . . .
H58B H 0.4127 0.6912 0.5828 0.035 Uiso 1 1 calc R U . . .
C59 C 0.3318(4) 0.7040(4) 0.5095(6) 0.033(2) Uani 1 1 d . . . . .
H59A H 0.3160 0.7215 0.5510 0.040 Uiso 1 1 calc R U . . .
H59B H 0.3181 0.6679 0.5067 0.040 Uiso 1 1 calc R U . . .
C60 C 0.3084(4) 0.7311(4) 0.4298(6) 0.033(2) Uani 1 1 d . . . . .
H60A H 0.3207 0.7114 0.3876 0.040 Uiso 1 1 calc R U . . .
H60B H 0.2648 0.7318 0.4193 0.040 Uiso 1 1 calc R U . . .
C61 C 0.3314(4) 0.7853(4) 0.4298(5) 0.030(2) Uani 1 1 d . . . . .
H61A H 0.3168 0.8058 0.4695 0.036 Uiso 1 1 calc R U . . .
H61B H 0.3166 0.8012 0.3783 0.036 Uiso 1 1 calc R U . . .
C62 C 0.3984(4) 0.7856(4) 0.4474(6) 0.028(2) Uani 1 1 d . . . . .
H62A H 0.4126 0.8215 0.4483 0.034 Uiso 1 1 calc R U . . .
H62B H 0.4128 0.7672 0.4055 0.034 Uiso 1 1 calc R U . . .
C63 C 0.5344(4) 0.8220(3) 0.5539(5) 0.0208(19) Uani 1 1 d . . . . .
H63 H 0.5231 0.8360 0.4999 0.025 Uiso 1 1 calc R U . . .
C64 C 0.6018(4) 0.8190(3) 0.5766(6) 0.026(2) Uani 1 1 d . . . . .
H64A H 0.6168 0.7973 0.5386 0.031 Uiso 1 1 calc R U . . .
H64B H 0.6134 0.8029 0.6285 0.031 Uiso 1 1 calc R U . . .
C65 C 0.6300(5) 0.8731(4) 0.5784(6) 0.033(2) Uani 1 1 d . . . . .
H65A H 0.6733 0.8703 0.5945 0.039 Uiso 1 1 calc R U . . .
H65B H 0.6208 0.8884 0.5256 0.039 Uiso 1 1 calc R U . . .
C66 C 0.6067(5) 0.9071(4) 0.6343(6) 0.036(3) Uani 1 1 d . . . . .
H66A H 0.6245 0.9417 0.6343 0.043 Uiso 1 1 calc R U . . .
H66B H 0.6182 0.8929 0.6876 0.043 Uiso 1 1 calc R U . . .
C67 C 0.5394(5) 0.9116(4) 0.6121(6) 0.038(3) Uani 1 1 d . . . . .
H67A H 0.5281 0.9278 0.5602 0.045 Uiso 1 1 calc R U . . .
H67B H 0.5252 0.9337 0.6503 0.045 Uiso 1 1 calc R U . . .
C68 C 0.5102(4) 0.8584(4) 0.6103(6) 0.029(2) Uani 1 1 d . . . . .
H68A H 0.4670 0.8619 0.5930 0.034 Uiso 1 1 calc R U . . .
H68B H 0.5182 0.8435 0.6633 0.034 Uiso 1 1 calc R U . . .
Ni3 Ni 0.25218(4) 0.57716(4) 0.24337(6) 0.0164(3) Uani 1 1 d . . . . .
P5 P 0.34101(10) 0.59313(8) 0.23364(13) 0.0173(5) Uani 1 1 d . . . . .
P6 P 0.16349(10) 0.59147(8) 0.25461(13) 0.0182(5) Uani 1 1 d . . . . .
N5 N 0.2971(3) 0.6853(3) 0.2322(4) 0.0194(16) Uani 1 1 d . . . . .
N6 N 0.2021(3) 0.6842(3) 0.2435(4) 0.0200(16) Uani 1 1 d . . . . .
C69 C 0.2548(4) 0.5001(4) 0.2474(6) 0.032(3) Uani 1 1 d . . . . .
H69A H 0.2810 0.4875 0.2142 0.048 Uiso 1 1 calc R U . . .
H69B H 0.2151 0.4864 0.2288 0.048 Uiso 1 1 calc R U . . .
H69C H 0.2695 0.4889 0.3011 0.048 Uiso 1 1 calc R U . . .
B70 B 0.2511(4) 0.6507(4) 0.2392(6) 0.024(2) Uani 1 1 d . . . . .
C71 C 0.2782(4) 0.7359(3) 0.2299(5) 0.0198(19) Uani 1 1 d . . . . .
C72 C 0.3063(4) 0.7825(3) 0.2188(6) 0.027(2) Uani 1 1 d . . . . .
H72 H 0.3459 0.7832 0.2121 0.032 Uiso 1 1 calc R U . . .
C73 C 0.2739(5) 0.8278(4) 0.2180(6) 0.036(2) Uani 1 1 d . . . . .
H73 H 0.2920 0.8598 0.2120 0.043 Uiso 1 1 calc R U . . .
C74 C 0.2159(5) 0.8266(3) 0.2258(6) 0.031(2) Uani 1 1 d . . . . .
H74 H 0.1950 0.8581 0.2240 0.038 Uiso 1 1 calc R U . . .
C75 C 0.1864(4) 0.7806(4) 0.2363(5) 0.028(2) Uani 1 1 d . . . . .
H75 H 0.1466 0.7806 0.2426 0.033 Uiso 1 1 calc R U . . .
C76 C 0.2183(4) 0.7352(3) 0.2369(5) 0.0215(19) Uani 1 1 d . . . . .
C77 C 0.3563(4) 0.6646(3) 0.2342(5) 0.0201(18) Uani 1 1 d . . . . .
H77A H 0.3843 0.6751 0.2820 0.024 Uiso 1 1 calc R U . . .
H77B H 0.3717 0.6752 0.1879 0.024 Uiso 1 1 calc R U . . .
C78 C 0.1453(4) 0.6624(3) 0.2482(5) 0.0211(19) Uani 1 1 d . . . . .
H78A H 0.1151 0.6705 0.2013 0.025 Uiso 1 1 calc R U . . .
H78B H 0.1317 0.6746 0.2951 0.025 Uiso 1 1 calc R U . . .
C79 C 0.3659(4) 0.5733(3) 0.1448(5) 0.0208(19) Uani 1 1 d . . . . .
H79 H 0.4051 0.5897 0.1459 0.025 Uiso 1 1 calc R U . . .
C80 C 0.3737(5) 0.5156(4) 0.1381(6) 0.028(2) Uani 1 1 d . . . . .
H80A H 0.3361 0.4982 0.1400 0.033 Uiso 1 1 calc R U . . .
H80B H 0.4036 0.5034 0.1829 0.033 Uiso 1 1 calc R U . . .
C81 C 0.3930(5) 0.5011(4) 0.0619(6) 0.036(3) Uani 1 1 d . . . . .
H81A H 0.4329 0.5151 0.0627 0.044 Uiso 1 1 calc R U . . .
H81B H 0.3952 0.4633 0.0580 0.044 Uiso 1 1 calc R U . . .
C82 C 0.3509(6) 0.5217(4) -0.0079(6) 0.039(3) Uani 1 1 d . . . . .
H82A H 0.3124 0.5042 -0.0127 0.047 Uiso 1 1 calc R U . . .
H82B H 0.3663 0.5142 -0.0555 0.047 Uiso 1 1 calc R U . . .
C83 C 0.3423(6) 0.5797(4) -0.0013(6) 0.040(3) Uani 1 1 d . . . . .
H83A H 0.3798 0.5974 -0.0030 0.048 Uiso 1 1 calc R U . . .
H83B H 0.3123 0.5916 -0.0462 0.048 Uiso 1 1 calc R U . . .
C84 C 0.3232(4) 0.5933(4) 0.0726(5) 0.027(2) Uani 1 1 d . . . . .
H84A H 0.2836 0.5787 0.0715 0.032 Uiso 1 1 calc R U . . .
H84B H 0.3203 0.6311 0.0762 0.032 Uiso 1 1 calc R U . . .
C85 C 0.3944(4) 0.5664(3) 0.3154(5) 0.0199(19) Uani 1 1 d . . . . .
H85 H 0.3896 0.5282 0.3120 0.024 Uiso 1 1 calc R U . . .
C86 C 0.3765(4) 0.5831(4) 0.3925(5) 0.0228(19) Uani 1 1 d . . . . .
H86A H 0.3793 0.6209 0.3974 0.027 Uiso 1 1 calc R U . . .
H86B H 0.3350 0.5732 0.3909 0.027 Uiso 1 1 calc R U . . .
C87 C 0.4159(4) 0.5583(4) 0.4634(6) 0.027(2) Uani 1 1 d . . . . .
H87A H 0.4053 0.5719 0.5114 0.032 Uiso 1 1 calc R U . . .
H87B H 0.4090 0.5208 0.4620 0.032 Uiso 1 1 calc R U . . .
C88 C 0.4809(4) 0.5687(4) 0.4656(6) 0.032(2) Uani 1 1 d . . . . .
H88A H 0.4888 0.6059 0.4729 0.039 Uiso 1 1 calc R U . . .
H88B H 0.5051 0.5503 0.5103 0.039 Uiso 1 1 calc R U . . .
C89 C 0.4982(4) 0.5514(4) 0.3916(6) 0.028(2) Uani 1 1 d . . . . .
H89A H 0.4938 0.5136 0.3868 0.033 Uiso 1 1 calc R U . . .
H89B H 0.5400 0.5599 0.3936 0.033 Uiso 1 1 calc R U . . .
C90 C 0.4598(4) 0.5772(4) 0.3199(5) 0.024(2) Uani 1 1 d . . . . .
H90A H 0.4666 0.6147 0.3227 0.029 Uiso 1 1 calc R U . . .
H90B H 0.4714 0.5643 0.2722 0.029 Uiso 1 1 calc R U . . .
C91 C 0.1449(4) 0.5737(4) 0.3481(5) 0.026(2) Uani 1 1 d . . . . .
H91 H 0.1053 0.5885 0.3491 0.031 Uiso 1 1 calc R U . . .
C92 C 0.1894(5) 0.5983(4) 0.4151(5) 0.030(2) Uani 1 1 d . . . . .
H92A H 0.2295 0.5863 0.4128 0.037 Uiso 1 1 calc R U . . .
H92B H 0.1885 0.6360 0.4081 0.037 Uiso 1 1 calc R U . . .
C93 C 0.1768(5) 0.5857(4) 0.4946(6) 0.038(3) Uani 1 1 d . . . . .
H93A H 0.1386 0.6009 0.4995 0.046 Uiso 1 1 calc R U . . .
H93B H 0.2078 0.6008 0.5355 0.046 Uiso 1 1 calc R U . . .
C94 C 0.1750(5) 0.5281(4) 0.5058(6) 0.042(3) Uani 1 1 d . . . . .
H94A H 0.1650 0.5206 0.5569 0.050 Uiso 1 1 calc R U . . .
H94B H 0.2144 0.5134 0.5057 0.050 Uiso 1 1 calc R U . . .
C95 C 0.1299(6) 0.5031(4) 0.4419(6) 0.040(3) Uani 1 1 d . . . . .
H95A H 0.0900 0.5151 0.4455 0.048 Uiso 1 1 calc R U . . .
H95B H 0.1311 0.4654 0.4494 0.048 Uiso 1 1 calc R U . . .
C96 C 0.1415(5) 0.5158(4) 0.3608(6) 0.031(2) Uani 1 1 d . . . . .
H96A H 0.1789 0.4997 0.3547 0.038 Uiso 1 1 calc R U . . .
H96B H 0.1095 0.5012 0.3207 0.038 Uiso 1 1 calc R U . . .
C97 C 0.1085(4) 0.5623(4) 0.1775(5) 0.023(2) Uani 1 1 d . . . . .
H97 H 0.1132 0.5242 0.1829 0.027 Uiso 1 1 calc R U . . .
C98 C 0.0436(4) 0.5746(4) 0.1779(5) 0.025(2) Uani 1 1 d . . . . .
H98A H 0.0379 0.6123 0.1763 0.030 Uiso 1 1 calc R U . . .
H98B H 0.0335 0.5616 0.2266 0.030 Uiso 1 1 calc R U . . .
C99 C 0.0020(4) 0.5498(4) 0.1067(6) 0.029(2) Uani 1 1 d . . . . .
H99A H 0.0053 0.5120 0.1106 0.035 Uiso 1 1 calc R U . . .
H99B H -0.0393 0.5593 0.1073 0.035 Uiso 1 1 calc R U . . .
C100 C 0.0173(4) 0.5674(4) 0.0310(6) 0.030(2) Uani 1 1 d . . . . .
H10C H 0.0114 0.6050 0.0254 0.036 Uiso 1 1 calc R U . . .
H10D H -0.0091 0.5505 -0.0133 0.036 Uiso 1 1 calc R U . . .
C101 C 0.0809(4) 0.5545(4) 0.0288(6) 0.028(2) Uani 1 1 d . . . . .
H10E H 0.0903 0.5678 -0.0202 0.034 Uiso 1 1 calc R U . . .
H10F H 0.0858 0.5168 0.0292 0.034 Uiso 1 1 calc R U . . .
C102 C 0.1240(4) 0.5776(4) 0.0980(5) 0.025(2) Uani 1 1 d . . . . .
H10G H 0.1234 0.6155 0.0932 0.030 Uiso 1 1 calc R U . . .
H10H H 0.1644 0.5657 0.0968 0.030 Uiso 1 1 calc R U . . .
C103 C 0.7608(6) 0.6108(5) 1.2687(8) 0.055(3) Uani 1 1 d . . . . .
H10I H 0.7333 0.6230 1.2224 0.083 Uiso 1 1 calc R U . . .
H10J H 0.8012 0.6195 1.2645 0.083 Uiso 1 1 calc R U . . .
H10K H 0.7516 0.6271 1.3152 0.083 Uiso 1 1 calc R U . . .
C104 C 0.7551(5) 0.5513(4) 1.2753(7) 0.044(3) Uani 1 1 d . . . . .
H10L H 0.7787 0.5396 1.3257 0.052 Uiso 1 1 calc R U . . .
H10M H 0.7134 0.5423 1.2739 0.052 Uiso 1 1 calc R U . . .
C105 C 0.7756(6) 0.5247(5) 1.2107(7) 0.049(3) Uani 1 1 d . . . . .
H10N H 0.8183 0.5313 1.2158 0.058 Uiso 1 1 calc R U . . .
H10O H 0.7552 0.5397 1.1607 0.058 Uiso 1 1 calc R U . . .
C106 C 0.7653(5) 0.4656(4) 1.2078(7) 0.049(3) Uani 1 1 d . . . . .
H10P H 0.7815 0.4509 1.2597 0.059 Uiso 1 1 calc R U . . .
H10Q H 0.7224 0.4588 1.1958 0.059 Uiso 1 1 calc R U . . .
C107 C 0.7940(6) 0.4386(5) 1.1464(7) 0.058(3) Uani 1 1 d . . . . .
H10R H 0.7753 0.4506 1.0942 0.087 Uiso 1 1 calc R U . . .
H10S H 0.7888 0.4014 1.1497 0.087 Uiso 1 1 calc R U . . .
H10T H 0.8361 0.4468 1.1562 0.087 Uiso 1 1 calc R U . . .
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'
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'
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
B2 Ni1 C1 179.1(4) . . ?
B2 Ni1 P2 78.7(3) . . ?
C1 Ni1 P2 100.6(3) . . ?
B2 Ni1 P1 80.1(3) . . ?
C1 Ni1 P1 100.6(3) . . ?
P2 Ni1 P1 158.67(10) . . ?
C11 P1 C17 106.9(4) . . ?
C11 P1 C9 104.8(4) . . ?
C17 P1 C9 101.2(4) . . ?
C11 P1 Ni1 112.4(3) . . ?
C17 P1 Ni1 118.6(3) . . ?
C9 P1 Ni1 111.5(3) . . ?
C29 P2 C23 108.9(4) . . ?
C29 P2 C10 104.4(4) . . ?
C23 P2 C10 100.3(4) . . ?
C29 P2 Ni1 114.2(3) . . ?
C23 P2 Ni1 115.3(3) . . ?
C10 P2 Ni1 112.4(3) . . ?
C3 N1 C9 130.9(8) . . ?
C3 N1 B2 109.2(8) . . ?
C9 N1 B2 119.7(7) . . ?
C8 N2 B2 110.6(8) . . ?
C8 N2 C10 130.5(8) . . ?
B2 N2 C10 118.6(7) . . ?
Ni1 C1 H1A 109.5 . . ?
Ni1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Ni1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 B2 N1 105.0(7) . . ?
N2 B2 Ni1 128.7(7) . . ?
N1 B2 Ni1 126.3(7) . . ?
C4 C3 N1 131.0(9) . . ?
C4 C3 C8 121.4(9) . . ?
N1 C3 C8 107.6(8) . . ?
C3 C4 C5 117.4(10) . . ?
C3 C4 H4 121.3 . . ?
C5 C4 H4 121.3 . . ?
C6 C5 C4 122.5(10) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5 C6 C7 119.8(10) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C8 C7 C6 119.1(10) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C7 C8 N2 132.7(9) . . ?
C7 C8 C3 119.7(9) . . ?
N2 C8 C3 107.7(8) . . ?
N1 C9 P1 102.1(6) . . ?
N1 C9 H9A 111.4 . . ?
P1 C9 H9A 111.4 . . ?
N1 C9 H9B 111.4 . . ?
P1 C9 H9B 111.4 . . ?
H9A C9 H9B 109.2 . . ?
N2 C10 P2 100.9(5) . . ?
N2 C10 H10A 111.6 . . ?
P2 C10 H10A 111.6 . . ?
N2 C10 H10B 111.6 . . ?
P2 C10 H10B 111.6 . . ?
H10A C10 H10B 109.4 . . ?
C12 C11 C16 111.5(7) . . ?
C12 C11 P1 109.2(6) . . ?
C16 C11 P1 116.9(6) . . ?
C12 C11 H11 106.2 . . ?
C16 C11 H11 106.2 . . ?
P1 C11 H11 106.2 . . ?
C13 C12 C11 112.8(8) . . ?
C13 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 C14 111.5(8) . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 C13 111.0(8) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 111.9(8) . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 C11 109.7(8) . . ?
C15 C16 H16A 109.7 . . ?
C11 C16 H16A 109.7 . . ?
C15 C16 H16B 109.7 . . ?
C11 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C22 C17 C18 110.3(7) . . ?
C22 C17 P1 109.8(6) . . ?
C18 C17 P1 113.7(7) . . ?
C22 C17 H17 107.6 . . ?
C18 C17 H17 107.6 . . ?
P1 C17 H17 107.6 . . ?
C19 C18 C17 111.7(8) . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C20 C19 C18 110.7(9) . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C19 C20 C21 110.1(9) . . ?
C19 C20 H20A 109.6 . . ?
C21 C20 H20A 109.6 . . ?
C19 C20 H20B 109.6 . . ?
C21 C20 H20B 109.6 . . ?
H20A C20 H20B 108.2 . . ?
C20 C21 C22 109.6(9) . . ?
C20 C21 H21A 109.7 . . ?
C22 C21 H21A 109.7 . . ?
C20 C21 H21B 109.7 . . ?
C22 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
C17 C22 C21 109.5(8) . . ?
C17 C22 H22A 109.8 . . ?
C21 C22 H22A 109.8 . . ?
C17 C22 H22B 109.8 . . ?
C21 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C28 C23 C24 110.7(8) . . ?
C28 C23 P2 110.4(6) . . ?
C24 C23 P2 111.5(6) . . ?
C28 C23 H23 108.0 . . ?
C24 C23 H23 108.0 . . ?
P2 C23 H23 108.0 . . ?
C25 C24 C23 111.2(8) . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24B 109.4 . . ?
C23 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C24 C25 C26 111.2(9) . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C27 C26 C25 111.5(8) . . ?
C27 C26 H26A 109.3 . . ?
C25 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C26 C27 C28 109.9(8) . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27B 109.7 . . ?
C28 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C23 C28 C27 112.5(8) . . ?
C23 C28 H28A 109.1 . . ?
C27 C28 H28A 109.1 . . ?
C23 C28 H28B 109.1 . . ?
C27 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C34 C29 C30 111.6(7) . . ?
C34 C29 P2 108.5(6) . . ?
C30 C29 P2 115.8(6) . . ?
C34 C29 H29 106.8 . . ?
C30 C29 H29 106.8 . . ?
P2 C29 H29 106.8 . . ?
C31 C30 C29 109.3(8) . . ?
C31 C30 H30A 109.8 . . ?
C29 C30 H30A 109.8 . . ?
C31 C30 H30B 109.8 . . ?
C29 C30 H30B 109.8 . . ?
H30A C30 H30B 108.3 . . ?
C32 C31 C30 112.8(8) . . ?
C32 C31 H31A 109.0 . . ?
C30 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C30 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
C31 C32 C33 110.6(8) . . ?
C31 C32 H32A 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 108.1 . . ?
C34 C33 C32 110.8(8) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C29 C34 C33 112.4(8) . . ?
C29 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
C29 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.9 . . ?
B36 Ni2 C35 179.0(4) . . ?
B36 Ni2 P4 79.7(3) . . ?
C35 Ni2 P4 100.6(3) . . ?
B36 Ni2 P3 79.1(3) . . ?
C35 Ni2 P3 100.6(3) . . ?
P4 Ni2 P3 158.79(10) . . ?
C45 P3 C51 107.8(4) . . ?
C45 P3 C43 101.2(4) . . ?
C51 P3 C43 105.2(4) . . ?
C45 P3 Ni2 117.3(3) . . ?
C51 P3 Ni2 112.4(3) . . ?
C43 P3 Ni2 111.7(3) . . ?
C57 P4 C63 107.7(4) . . ?
C57 P4 C44 105.4(4) . . ?
C63 P4 C44 100.9(4) . . ?
C57 P4 Ni2 113.5(3) . . ?
C63 P4 Ni2 116.8(3) . . ?
C44 P4 Ni2 111.4(3) . . ?
C37 N3 B36 110.5(7) . . ?
C37 N3 C43 129.9(8) . . ?
B36 N3 C43 119.5(7) . . ?
C42 N4 B36 110.2(7) . . ?
C42 N4 C44 129.4(7) . . ?
B36 N4 C44 119.9(7) . . ?
Ni2 C35 H35A 109.5 . . ?
Ni2 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Ni2 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N3 B36 N4 104.7(7) . . ?
N3 B36 Ni2 128.4(7) . . ?
N4 B36 Ni2 126.9(7) . . ?
C38 C37 N3 132.0(9) . . ?
C38 C37 C42 120.6(9) . . ?
N3 C37 C42 107.4(8) . . ?
C39 C38 C37 118.5(9) . . ?
C39 C38 H38 120.7 . . ?
C37 C38 H38 120.7 . . ?
C38 C39 C40 120.9(9) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
C39 C40 C41 121.8(9) . . ?
C39 C40 H40 119.1 . . ?
C41 C40 H40 119.1 . . ?
C42 C41 C40 117.7(9) . . ?
C42 C41 H41 121.1 . . ?
C40 C41 H41 121.1 . . ?
C41 C42 N4 132.3(9) . . ?
C41 C42 C37 120.5(9) . . ?
N4 C42 C37 107.3(8) . . ?
N3 C43 P3 101.3(6) . . ?
N3 C43 H43A 111.5 . . ?
P3 C43 H43A 111.5 . . ?
N3 C43 H43B 111.5 . . ?
P3 C43 H43B 111.5 . . ?
H43A C43 H43B 109.3 . . ?
N4 C44 P4 101.5(6) . . ?
N4 C44 H44A 111.5 . . ?
P4 C44 H44A 111.5 . . ?
N4 C44 H44B 111.5 . . ?
P4 C44 H44B 111.5 . . ?
H44A C44 H44B 109.3 . . ?
C46 C45 C50 110.1(8) . . ?
C46 C45 P3 114.4(6) . . ?
C50 C45 P3 107.1(6) . . ?
C46 C45 H45 108.3 . . ?
C50 C45 H45 108.3 . . ?
P3 C45 H45 108.3 . . ?
C45 C46 C47 110.8(8) . . ?
C45 C46 H46A 109.5 . . ?
C47 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C47 C46 H46B 109.5 . . ?
H46A C46 H46B 108.1 . . ?
C48 C47 C46 110.5(9) . . ?
C48 C47 H47A 109.5 . . ?
C46 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 108.1 . . ?
C49 C48 C47 111.2(9) . . ?
C49 C48 H48A 109.4 . . ?
C47 C48 H48A 109.4 . . ?
C49 C48 H48B 109.4 . . ?
C47 C48 H48B 109.4 . . ?
H48A C48 H48B 108.0 . . ?
C48 C49 C50 110.3(9) . . ?
C48 C49 H49A 109.6 . . ?
C50 C49 H49A 109.6 . . ?
C48 C49 H49B 109.6 . . ?
C50 C49 H49B 109.6 . . ?
H49A C49 H49B 108.1 . . ?
C49 C50 C45 111.0(8) . . ?
C49 C50 H50A 109.4 . . ?
C45 C50 H50A 109.4 . . ?
C49 C50 H50B 109.4 . . ?
C45 C50 H50B 109.4 . . ?
H50A C50 H50B 108.0 . . ?
C56 C51 C52 111.5(8) . . ?
C56 C51 P3 108.2(6) . . ?
C52 C51 P3 116.2(7) . . ?
C56 C51 H51 106.8 . . ?
C52 C51 H51 106.8 . . ?
P3 C51 H51 106.8 . . ?
C51 C52 C53 109.1(8) . . ?
C51 C52 H52A 109.9 . . ?
C53 C52 H52A 109.9 . . ?
C51 C52 H52B 109.9 . . ?
C53 C52 H52B 109.9 . . ?
H52A C52 H52B 108.3 . . ?
C54 C53 C52 111.0(8) . . ?
C54 C53 H53A 109.4 . . ?
C52 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C53 C54 C55 112.0(8) . . ?
C53 C54 H54A 109.2 . . ?
C55 C54 H54A 109.2 . . ?
C53 C54 H54B 109.2 . . ?
C55 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
C56 C55 C54 110.9(8) . . ?
C56 C55 H55A 109.5 . . ?
C54 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 108.1 . . ?
C51 C56 C55 113.5(8) . . ?
C51 C56 H56A 108.9 . . ?
C55 C56 H56A 108.9 . . ?
C51 C56 H56B 108.9 . . ?
C55 C56 H56B 108.9 . . ?
H56A C56 H56B 107.7 . . ?
C62 C57 C58 111.5(7) . . ?
C62 C57 P4 116.7(7) . . ?
C58 C57 P4 107.2(6) . . ?
C62 C57 H57 107.0 . . ?
C58 C57 H57 107.0 . . ?
P4 C57 H57 107.0 . . ?
C59 C58 C57 111.9(8) . . ?
C59 C58 H58A 109.2 . . ?
C57 C58 H58A 109.2 . . ?
C59 C58 H58B 109.2 . . ?
C57 C58 H58B 109.2 . . ?
H58A C58 H58B 107.9 . . ?
C58 C59 C60 110.7(8) . . ?
C58 C59 H59A 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C60 C59 H59B 109.5 . . ?
H59A C59 H59B 108.1 . . ?
C61 C60 C59 111.4(7) . . ?
C61 C60 H60A 109.4 . . ?
C59 C60 H60A 109.4 . . ?
C61 C60 H60B 109.4 . . ?
C59 C60 H60B 109.4 . . ?
H60A C60 H60B 108.0 . . ?
C60 C61 C62 110.6(8) . . ?
C60 C61 H61A 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 108.1 . . ?
C61 C62 C57 111.4(8) . . ?
C61 C62 H62A 109.3 . . ?
C57 C62 H62A 109.3 . . ?
C61 C62 H62B 109.3 . . ?
C57 C62 H62B 109.3 . . ?
H62A C62 H62B 108.0 . . ?
C64 C63 C68 110.2(7) . . ?
C64 C63 P4 108.2(6) . . ?
C68 C63 P4 112.3(7) . . ?
C64 C63 H63 108.7 . . ?
C68 C63 H63 108.7 . . ?
P4 C63 H63 108.7 . . ?
C63 C64 C65 111.3(8) . . ?
C63 C64 H64A 109.4 . . ?
C65 C64 H64A 109.4 . . ?
C63 C64 H64B 109.4 . . ?
C65 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C66 C65 C64 110.2(8) . . ?
C66 C65 H65A 109.6 . . ?
C64 C65 H65A 109.6 . . ?
C66 C65 H65B 109.6 . . ?
C64 C65 H65B 109.6 . . ?
H65A C65 H65B 108.1 . . ?
C65 C66 C67 111.0(8) . . ?
C65 C66 H66A 109.4 . . ?
C67 C66 H66A 109.4 . . ?
C65 C66 H66B 109.4 . . ?
C67 C66 H66B 109.4 . . ?
H66A C66 H66B 108.0 . . ?
C66 C67 C68 111.0(8) . . ?
C66 C67 H67A 109.4 . . ?
C68 C67 H67A 109.4 . . ?
C66 C67 H67B 109.4 . . ?
C68 C67 H67B 109.4 . . ?
H67A C67 H67B 108.0 . . ?
C67 C68 C63 110.4(8) . . ?
C67 C68 H68A 109.6 . . ?
C63 C68 H68A 109.6 . . ?
C67 C68 H68B 109.6 . . ?
C63 C68 H68B 109.6 . . ?
H68A C68 H68B 108.1 . . ?
B70 Ni3 C69 179.0(4) . . ?
B70 Ni3 P6 79.8(3) . . ?
C69 Ni3 P6 101.2(3) . . ?
B70 Ni3 P5 79.0(3) . . ?
C69 Ni3 P5 100.0(3) . . ?
P6 Ni3 P5 158.73(11) . . ?
C85 P5 C79 106.1(4) . . ?
C85 P5 C77 105.9(4) . . ?
C79 P5 C77 101.0(4) . . ?
C85 P5 Ni3 111.9(3) . . ?
C79 P5 Ni3 118.9(3) . . ?
C77 P5 Ni3 111.9(3) . . ?
C97 P6 C91 107.5(4) . . ?
C97 P6 C78 104.4(4) . . ?
C91 P6 C78 102.1(4) . . ?
C97 P6 Ni3 113.6(3) . . ?
C91 P6 Ni3 116.2(3) . . ?
C78 P6 Ni3 111.8(3) . . ?
C71 N5 B70 111.6(8) . . ?
C71 N5 C77 129.6(7) . . ?
B70 N5 C77 118.6(7) . . ?
C76 N6 B70 110.1(8) . . ?
C76 N6 C78 129.8(8) . . ?
B70 N6 C78 119.9(8) . . ?
Ni3 C69 H69A 109.5 . . ?
Ni3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
Ni3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N5 B70 N6 103.5(8) . . ?
N5 B70 Ni3 129.2(7) . . ?
N6 B70 Ni3 127.3(7) . . ?
N5 C71 C72 132.2(9) . . ?
N5 C71 C76 107.0(7) . . ?
C72 C71 C76 120.7(8) . . ?
C73 C72 C71 117.8(9) . . ?
C73 C72 H72 121.1 . . ?
C71 C72 H72 121.1 . . ?
C74 C73 C72 120.9(9) . . ?
C74 C73 H73 119.6 . . ?
C72 C73 H73 119.6 . . ?
C73 C74 C75 122.7(9) . . ?
C73 C74 H74 118.6 . . ?
C75 C74 H74 118.6 . . ?
C76 C75 C74 116.9(9) . . ?
C76 C75 H75 121.6 . . ?
C74 C75 H75 121.6 . . ?
N6 C76 C75 131.3(9) . . ?
N6 C76 C71 107.8(7) . . ?
C75 C76 C71 120.9(8) . . ?
N5 C77 P5 100.8(6) . . ?
N5 C77 H77A 111.6 . . ?
P5 C77 H77A 111.6 . . ?
N5 C77 H77B 111.6 . . ?
P5 C77 H77B 111.6 . . ?
H77A C77 H77B 109.4 . . ?
N6 C78 P6 101.0(6) . . ?
N6 C78 H78A 111.6 . . ?
P6 C78 H78A 111.6 . . ?
N6 C78 H78B 111.6 . . ?
P6 C78 H78B 111.6 . . ?
H78A C78 H78B 109.4 . . ?
C80 C79 C84 109.8(7) . . ?
C80 C79 P5 113.9(7) . . ?
C84 C79 P5 110.0(6) . . ?
C80 C79 H79 107.6 . . ?
C84 C79 H79 107.6 . . ?
P5 C79 H79 107.6 . . ?
C79 C80 C81 111.7(8) . . ?
C79 C80 H80A 109.3 . . ?
C81 C80 H80A 109.3 . . ?
C79 C80 H80B 109.3 . . ?
C81 C80 H80B 109.3 . . ?
H80A C80 H80B 107.9 . . ?
C82 C81 C80 111.4(9) . . ?
C82 C81 H81A 109.3 . . ?
C80 C81 H81A 109.3 . . ?
C82 C81 H81B 109.3 . . ?
C80 C81 H81B 109.3 . . ?
H81A C81 H81B 108.0 . . ?
C81 C82 C83 111.3(8) . . ?
C81 C82 H82A 109.4 . . ?
C83 C82 H82A 109.4 . . ?
C81 C82 H82B 109.4 . . ?
C83 C82 H82B 109.4 . . ?
H82A C82 H82B 108.0 . . ?
C84 C83 C82 111.4(9) . . ?
C84 C83 H83A 109.3 . . ?
C82 C83 H83A 109.3 . . ?
C84 C83 H83B 109.3 . . ?
C82 C83 H83B 109.3 . . ?
H83A C83 H83B 108.0 . . ?
C83 C84 C79 112.4(8) . . ?
C83 C84 H84A 109.1 . . ?
C79 C84 H84A 109.1 . . ?
C83 C84 H84B 109.1 . . ?
C79 C84 H84B 109.1 . . ?
H84A C84 H84B 107.9 . . ?
C90 C85 C86 109.8(7) . . ?
C90 C85 P5 118.5(6) . . ?
C86 C85 P5 108.5(6) . . ?
C90 C85 H85 106.5 . . ?
C86 C85 H85 106.5 . . ?
P5 C85 H85 106.5 . . ?
C87 C86 C85 111.6(8) . . ?
C87 C86 H86A 109.3 . . ?
C85 C86 H86A 109.3 . . ?
C87 C86 H86B 109.3 . . ?
C85 C86 H86B 109.3 . . ?
H86A C86 H86B 108.0 . . ?
C88 C87 C86 111.9(8) . . ?
C88 C87 H87A 109.2 . . ?
C86 C87 H87A 109.2 . . ?
C88 C87 H87B 109.2 . . ?
C86 C87 H87B 109.2 . . ?
H87A C87 H87B 107.9 . . ?
C89 C88 C87 111.0(8) . . ?
C89 C88 H88A 109.4 . . ?
C87 C88 H88A 109.4 . . ?
C89 C88 H88B 109.4 . . ?
C87 C88 H88B 109.4 . . ?
H88A C88 H88B 108.0 . . ?
C88 C89 C90 111.3(8) . . ?
C88 C89 H89A 109.4 . . ?
C90 C89 H89A 109.4 . . ?
C88 C89 H89B 109.4 . . ?
C90 C89 H89B 109.4 . . ?
H89A C89 H89B 108.0 . . ?
C85 C90 C89 111.5(8) . . ?
C85 C90 H90A 109.3 . . ?
C89 C90 H90A 109.3 . . ?
C85 C90 H90B 109.3 . . ?
C89 C90 H90B 109.3 . . ?
H90A C90 H90B 108.0 . . ?
C96 C91 C92 110.3(8) . . ?
C96 C91 P6 114.1(7) . . ?
C92 C91 P6 109.6(7) . . ?
C96 C91 H91 107.5 . . ?
C92 C91 H91 107.5 . . ?
P6 C91 H91 107.5 . . ?
C93 C92 C91 112.9(9) . . ?
C93 C92 H92A 109.0 . . ?
C91 C92 H92A 109.0 . . ?
C93 C92 H92B 109.0 . . ?
C91 C92 H92B 109.0 . . ?
H92A C92 H92B 107.8 . . ?
C92 C93 C94 110.5(9) . . ?
C92 C93 H93A 109.6 . . ?
C94 C93 H93A 109.6 . . ?
C92 C93 H93B 109.6 . . ?
C94 C93 H93B 109.6 . . ?
H93A C93 H93B 108.1 . . ?
C93 C94 C95 111.2(8) . . ?
C93 C94 H94A 109.4 . . ?
C95 C94 H94A 109.4 . . ?
C93 C94 H94B 109.4 . . ?
C95 C94 H94B 109.4 . . ?
H94A C94 H94B 108.0 . . ?
C94 C95 C96 111.6(10) . . ?
C94 C95 H95A 109.3 . . ?
C96 C95 H95A 109.3 . . ?
C94 C95 H95B 109.3 . . ?
C96 C95 H95B 109.3 . . ?
H95A C95 H95B 108.0 . . ?
C91 C96 C95 111.8(9) . . ?
C91 C96 H96A 109.2 . . ?
C95 C96 H96A 109.2 . . ?
C91 C96 H96B 109.2 . . ?
C95 C96 H96B 109.2 . . ?
H96A C96 H96B 107.9 . . ?
C98 C97 C102 110.6(7) . . ?
C98 C97 P6 116.5(7) . . ?
C102 C97 P6 107.6(6) . . ?
C98 C97 H97 107.2 . . ?
C102 C97 H97 107.2 . . ?
P6 C97 H97 107.2 . . ?
C97 C98 C99 111.0(8) . . ?
C97 C98 H98A 109.4 . . ?
C99 C98 H98A 109.4 . . ?
C97 C98 H98B 109.4 . . ?
C99 C98 H98B 109.4 . . ?
H98A C98 H98B 108.0 . . ?
C100 C99 C98 111.1(8) . . ?
C100 C99 H99A 109.4 . . ?
C98 C99 H99A 109.4 . . ?
C100 C99 H99B 109.4 . . ?
C98 C99 H99B 109.4 . . ?
H99A C99 H99B 108.0 . . ?
C99 C100 C101 110.9(8) . . ?
C99 C100 H10C 109.5 . . ?
C101 C100 H10C 109.5 . . ?
C99 C100 H10D 109.5 . . ?
C101 C100 H10D 109.5 . . ?
H10C C100 H10D 108.1 . . ?
C100 C101 C102 112.0(9) . . ?
C100 C101 H10E 109.2 . . ?
C102 C101 H10E 109.2 . . ?
C100 C101 H10F 109.2 . . ?
C102 C101 H10F 109.2 . . ?
H10E C101 H10F 107.9 . . ?
C101 C102 C97 112.2(8) . . ?
C101 C102 H10G 109.2 . . ?
C97 C102 H10G 109.2 . . ?
C101 C102 H10H 109.2 . . ?
C97 C102 H10H 109.2 . . ?
H10G C102 H10H 107.9 . . ?
C104 C103 H10I 109.5 . . ?
C104 C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
C104 C103 H10K 109.5 . . ?
H10I C103 H10K 109.5 . . ?
H10J C103 H10K 109.5 . . ?
C105 C104 C103 111.3(10) . . ?
C105 C104 H10L 109.4 . . ?
C103 C104 H10L 109.4 . . ?
C105 C104 H10M 109.4 . . ?
C103 C104 H10M 109.4 . . ?
H10L C104 H10M 108.0 . . ?
C104 C105 C106 114.6(9) . . ?
C104 C105 H10N 108.6 . . ?
C106 C105 H10N 108.6 . . ?
C104 C105 H10O 108.6 . . ?
C106 C105 H10O 108.6 . . ?
H10N C105 H10O 107.6 . . ?
C107 C106 C105 112.8(11) . . ?
C107 C106 H10P 109.0 . . ?
C105 C106 H10P 109.0 . . ?
C107 C106 H10Q 109.0 . . ?
C105 C106 H10Q 109.0 . . ?
H10P C106 H10Q 107.8 . . ?
C106 C107 H10R 109.5 . . ?
C106 C107 H10S 109.5 . . ?
H10R C107 H10S 109.5 . . ?
C106 C107 H10T 109.5 . . ?
H10R C107 H10T 109.5 . . ?
H10S C107 H10T 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 B2 1.927(9) . ?
Ni1 C1 2.019(9) . ?
Ni1 P2 2.138(2) . ?
Ni1 P1 2.148(2) . ?
P1 C11 1.843(9) . ?
P1 C17 1.846(9) . ?
P1 C9 1.878(9) . ?
P2 C29 1.845(8) . ?
P2 C23 1.845(10) . ?
P2 C10 1.875(9) . ?
N1 C3 1.396(12) . ?
N1 C9 1.447(12) . ?
N1 B2 1.456(12) . ?
N2 C8 1.387(12) . ?
N2 B2 1.423(12) . ?
N2 C10 1.469(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 C4 1.369(14) . ?
C3 C8 1.441(13) . ?
C4 C5 1.397(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.397(15) . ?
C6 H6 0.9500 . ?
C7 C8 1.384(13) . ?
C7 H7 0.9500 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.542(12) . ?
C11 C16 1.545(12) . ?
C11 H11 1.0000 . ?
C12 C13 1.528(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.535(13) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.517(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.529(13) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C22 1.520(13) . ?
C17 C18 1.535(13) . ?
C17 H17 1.0000 . ?
C18 C19 1.524(14) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.517(17) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.537(16) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.565(14) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C28 1.517(11) . ?
C23 C24 1.543(13) . ?
C23 H23 1.0000 . ?
C24 C25 1.508(13) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.528(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.495(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.535(14) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.533(13) . ?
C29 C30 1.555(12) . ?
C29 H29 1.0000 . ?
C30 C31 1.540(13) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.504(14) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.545(13) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.536(13) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
Ni2 B36 1.932(9) . ?
Ni2 C35 2.023(9) . ?
Ni2 P4 2.145(2) . ?
Ni2 P3 2.147(2) . ?
P3 C45 1.842(9) . ?
P3 C51 1.846(10) . ?
P3 C43 1.897(10) . ?
P4 C57 1.852(9) . ?
P4 C63 1.856(9) . ?
P4 C44 1.886(9) . ?
N3 C37 1.394(12) . ?
N3 B36 1.423(12) . ?
N3 C43 1.454(11) . ?
N4 C42 1.396(12) . ?
N4 B36 1.434(12) . ?
N4 C44 1.449(11) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 C38 1.385(13) . ?
C37 C42 1.431(13) . ?
C38 C39 1.370(15) . ?
C38 H38 0.9500 . ?
C39 C40 1.391(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.400(14) . ?
C40 H40 0.9500 . ?
C41 C42 1.367(13) . ?
C41 H41 0.9500 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.520(14) . ?
C45 C50 1.580(13) . ?
C45 H45 1.0000 . ?
C46 C47 1.546(13) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.542(15) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.507(17) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.536(15) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C56 1.529(13) . ?
C51 C52 1.546(12) . ?
C51 H51 1.0000 . ?
C52 C53 1.547(13) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.527(15) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.539(13) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.531(13) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C62 1.534(12) . ?
C57 C58 1.544(13) . ?
C57 H57 1.0000 . ?
C58 C59 1.526(14) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.564(13) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.509(14) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.521(13) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.536(13) . ?
C63 C68 1.554(12) . ?
C63 H63 1.0000 . ?
C64 C65 1.551(13) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.500(15) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.535(16) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.541(14) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
Ni3 B70 1.918(11) . ?
Ni3 C69 2.010(11) . ?
Ni3 P6 2.138(2) . ?
Ni3 P5 2.141(2) . ?
P5 C85 1.831(8) . ?
P5 C79 1.841(9) . ?
P5 C77 1.895(9) . ?
P6 C97 1.827(9) . ?
P6 C91 1.835(10) . ?
P6 C78 1.895(9) . ?
N5 C71 1.388(11) . ?
N5 B70 1.420(13) . ?
N5 C77 1.470(11) . ?
N6 C76 1.392(11) . ?
N6 B70 1.445(13) . ?
N6 C78 1.451(12) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C71 C72 1.410(13) . ?
C71 C76 1.419(14) . ?
C72 C73 1.396(14) . ?
C72 H72 0.9500 . ?
C73 C74 1.379(15) . ?
C73 H73 0.9500 . ?
C74 C75 1.411(13) . ?
C74 H74 0.9500 . ?
C75 C76 1.395(13) . ?
C75 H75 0.9500 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.521(13) . ?
C79 C84 1.533(12) . ?
C79 H79 1.0000 . ?
C80 C81 1.539(14) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.502(14) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.532(14) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.495(15) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C90 1.528(13) . ?
C85 C86 1.555(13) . ?
C85 H85 1.0000 . ?
C86 C87 1.529(12) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.524(15) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C89 1.501(16) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.541(12) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C96 1.530(13) . ?
C91 C92 1.538(13) . ?
C91 H91 1.0000 . ?
C92 C93 1.516(13) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.516(15) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.517(16) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.536(14) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 C98 1.540(13) . ?
C97 C102 1.562(13) . ?
C97 H97 1.0000 . ?
C98 C99 1.556(13) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C100 1.515(15) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 C101 1.521(14) . ?
C100 H10C 0.9900 . ?
C100 H10D 0.9900 . ?
C101 C102 1.530(13) . ?
C101 H10E 0.9900 . ?
C101 H10F 0.9900 . ?
C102 H10G 0.9900 . ?
C102 H10H 0.9900 . ?
C103 C104 1.561(18) . ?
C103 H10I 0.9800 . ?
C103 H10J 0.9800 . ?
C103 H10K 0.9800 . ?
C104 C105 1.485(17) . ?
C104 H10L 0.9900 . ?
C104 H10M 0.9900 . ?
C105 C106 1.557(16) . ?
C105 H10N 0.9900 . ?
C105 H10O 0.9900 . ?
C106 C107 1.546(17) . ?
C106 H10P 0.9900 . ?
C106 H10Q 0.9900 . ?
C107 H10R 0.9800 . ?
C107 H10S 0.9800 . ?
C107 H10T 0.9800 . ?
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
C8 N2 B2 N1 -0.7(10) . . . . ?
C10 N2 B2 N1 173.2(7) . . . . ?
C8 N2 B2 Ni1 -178.0(7) . . . . ?
C10 N2 B2 Ni1 -4.1(13) . . . . ?
C3 N1 B2 N2 -0.4(10) . . . . ?
C9 N1 B2 N2 175.1(7) . . . . ?
C3 N1 B2 Ni1 177.1(7) . . . . ?
C9 N1 B2 Ni1 -7.5(12) . . . . ?
C9 N1 C3 C4 5.6(16) . . . . ?
B2 N1 C3 C4 -179.7(10) . . . . ?
C9 N1 C3 C8 -173.6(9) . . . . ?
B2 N1 C3 C8 1.2(10) . . . . ?
N1 C3 C4 C5 -179.9(9) . . . . ?
C8 C3 C4 C5 -0.8(13) . . . . ?
C3 C4 C5 C6 2.5(15) . . . . ?
C4 C5 C6 C7 -2.6(16) . . . . ?
C5 C6 C7 C8 0.9(15) . . . . ?
C6 C7 C8 N2 -179.2(10) . . . . ?
C6 C7 C8 C3 0.7(14) . . . . ?
B2 N2 C8 C7 -178.7(10) . . . . ?
C10 N2 C8 C7 8.3(17) . . . . ?
B2 N2 C8 C3 1.4(10) . . . . ?
C10 N2 C8 C3 -171.6(8) . . . . ?
C4 C3 C8 C7 -0.7(13) . . . . ?
N1 C3 C8 C7 178.5(8) . . . . ?
C4 C3 C8 N2 179.2(8) . . . . ?
N1 C3 C8 N2 -1.6(9) . . . . ?
C3 N1 C9 P1 -179.5(8) . . . . ?
B2 N1 C9 P1 6.2(10) . . . . ?
C11 P1 C9 N1 -125.5(6) . . . . ?
C17 P1 C9 N1 123.5(6) . . . . ?
Ni1 P1 C9 N1 -3.6(7) . . . . ?
C8 N2 C10 P2 -179.7(8) . . . . ?
B2 N2 C10 P2 7.8(9) . . . . ?
C29 P2 C10 N2 -133.1(6) . . . . ?
C23 P2 C10 N2 114.2(6) . . . . ?
Ni1 P2 C10 N2 -8.9(6) . . . . ?
C17 P1 C11 C12 177.5(6) . . . . ?
C9 P1 C11 C12 70.6(7) . . . . ?
Ni1 P1 C11 C12 -50.7(7) . . . . ?
C17 P1 C11 C16 49.7(8) . . . . ?
C9 P1 C11 C16 -57.2(8) . . . . ?
Ni1 P1 C11 C16 -178.4(6) . . . . ?
C16 C11 C12 C13 -52.5(11) . . . . ?
P1 C11 C12 C13 176.8(6) . . . . ?
C11 C12 C13 C14 51.8(11) . . . . ?
C12 C13 C14 C15 -54.1(11) . . . . ?
C13 C14 C15 C16 58.1(11) . . . . ?
C14 C15 C16 C11 -58.0(10) . . . . ?
C12 C11 C16 C15 54.5(10) . . . . ?
P1 C11 C16 C15 -178.9(6) . . . . ?
C11 P1 C17 C22 -178.9(6) . . . . ?
C9 P1 C17 C22 -69.4(7) . . . . ?
Ni1 P1 C17 C22 52.8(7) . . . . ?
C11 P1 C17 C18 57.0(7) . . . . ?
C9 P1 C17 C18 166.4(7) . . . . ?
Ni1 P1 C17 C18 -71.3(7) . . . . ?
C22 C17 C18 C19 56.8(10) . . . . ?
P1 C17 C18 C19 -179.3(7) . . . . ?
C17 C18 C19 C20 -56.5(11) . . . . ?
C18 C19 C20 C21 57.7(12) . . . . ?
C19 C20 C21 C22 -59.1(13) . . . . ?
C18 C17 C22 C21 -57.5(10) . . . . ?
P1 C17 C22 C21 176.4(6) . . . . ?
C20 C21 C22 C17 59.2(11) . . . . ?
C29 P2 C23 C28 -174.8(6) . . . . ?
C10 P2 C23 C28 -65.6(7) . . . . ?
Ni1 P2 C23 C28 55.4(7) . . . . ?
C29 P2 C23 C24 61.8(7) . . . . ?
C10 P2 C23 C24 171.0(6) . . . . ?
Ni1 P2 C23 C24 -68.0(6) . . . . ?
C28 C23 C24 C25 53.5(11) . . . . ?
P2 C23 C24 C25 176.8(7) . . . . ?
C23 C24 C25 C26 -55.3(11) . . . . ?
C24 C25 C26 C27 57.9(12) . . . . ?
C25 C26 C27 C28 -56.9(12) . . . . ?
C24 C23 C28 C27 -53.9(11) . . . . ?
P2 C23 C28 C27 -177.9(7) . . . . ?
C26 C27 C28 C23 56.0(11) . . . . ?
C23 P2 C29 C34 179.1(6) . . . . ?
C10 P2 C29 C34 72.6(7) . . . . ?
Ni1 P2 C29 C34 -50.5(7) . . . . ?
C23 P2 C29 C30 52.7(8) . . . . ?
C10 P2 C29 C30 -53.8(7) . . . . ?
Ni1 P2 C29 C30 -176.9(6) . . . . ?
C34 C29 C30 C31 53.8(10) . . . . ?
P2 C29 C30 C31 178.6(6) . . . . ?
C29 C30 C31 C32 -56.9(11) . . . . ?
C30 C31 C32 C33 58.1(11) . . . . ?
C31 C32 C33 C34 -55.3(11) . . . . ?
C30 C29 C34 C33 -54.0(11) . . . . ?
P2 C29 C34 C33 177.2(6) . . . . ?
C32 C33 C34 C29 54.0(11) . . . . ?
C37 N3 B36 N4 -1.6(10) . . . . ?
C43 N3 B36 N4 180.0(7) . . . . ?
C37 N3 B36 Ni2 177.2(7) . . . . ?
C43 N3 B36 Ni2 -1.2(12) . . . . ?
C42 N4 B36 N3 1.1(10) . . . . ?
C44 N4 B36 N3 173.9(7) . . . . ?
C42 N4 B36 Ni2 -177.6(7) . . . . ?
C44 N4 B36 Ni2 -4.9(12) . . . . ?
B36 N3 C37 C38 -177.3(9) . . . . ?
C43 N3 C37 C38 1.0(16) . . . . ?
B36 N3 C37 C42 1.4(10) . . . . ?
C43 N3 C37 C42 179.6(9) . . . . ?
N3 C37 C38 C39 179.5(10) . . . . ?
C42 C37 C38 C39 1.0(14) . . . . ?
C37 C38 C39 C40 -1.3(15) . . . . ?
C38 C39 C40 C41 1.6(16) . . . . ?
C39 C40 C41 C42 -1.5(15) . . . . ?
C40 C41 C42 N4 -177.8(9) . . . . ?
C40 C41 C42 C37 1.2(14) . . . . ?
B36 N4 C42 C41 178.7(10) . . . . ?
C44 N4 C42 C41 6.8(16) . . . . ?
B36 N4 C42 C37 -0.3(10) . . . . ?
C44 N4 C42 C37 -172.2(8) . . . . ?
C38 C37 C42 C41 -1.0(13) . . . . ?
N3 C37 C42 C41 -179.8(8) . . . . ?
C38 C37 C42 N4 178.2(8) . . . . ?
N3 C37 C42 N4 -0.6(9) . . . . ?
C37 N3 C43 P3 -177.1(8) . . . . ?
B36 N3 C43 P3 1.0(10) . . . . ?
C45 P3 C43 N3 125.0(6) . . . . ?
C51 P3 C43 N3 -122.9(6) . . . . ?
Ni2 P3 C43 N3 -0.6(7) . . . . ?
C42 N4 C44 P4 178.9(8) . . . . ?
B36 N4 C44 P4 7.8(10) . . . . ?
C57 P4 C44 N4 -131.4(6) . . . . ?
C63 P4 C44 N4 116.6(6) . . . . ?
Ni2 P4 C44 N4 -7.9(7) . . . . ?
C51 P3 C45 C46 50.7(8) . . . . ?
C43 P3 C45 C46 160.8(7) . . . . ?
Ni2 P3 C45 C46 -77.5(7) . . . . ?
C51 P3 C45 C50 173.1(6) . . . . ?
C43 P3 C45 C50 -76.8(7) . . . . ?
Ni2 P3 C45 C50 44.9(7) . . . . ?
C50 C45 C46 C47 55.7(10) . . . . ?
P3 C45 C46 C47 176.4(7) . . . . ?
C45 C46 C47 C48 -57.1(11) . . . . ?
C46 C47 C48 C49 58.2(12) . . . . ?
C47 C48 C49 C50 -58.2(13) . . . . ?
C48 C49 C50 C45 56.8(13) . . . . ?
C46 C45 C50 C49 -55.9(11) . . . . ?
P3 C45 C50 C49 179.1(8) . . . . ?
C45 P3 C51 C56 -179.5(6) . . . . ?
C43 P3 C51 C56 73.1(7) . . . . ?
Ni2 P3 C51 C56 -48.6(7) . . . . ?
C45 P3 C51 C52 54.2(8) . . . . ?
C43 P3 C51 C52 -53.2(8) . . . . ?
Ni2 P3 C51 C52 -174.9(6) . . . . ?
C56 C51 C52 C53 56.0(10) . . . . ?
P3 C51 C52 C53 -179.3(7) . . . . ?
C51 C52 C53 C54 -58.3(11) . . . . ?
C52 C53 C54 C55 57.7(11) . . . . ?
C53 C54 C55 C56 -53.0(11) . . . . ?
C52 C51 C56 C55 -53.8(11) . . . . ?
P3 C51 C56 C55 177.1(6) . . . . ?
C54 C55 C56 C51 51.3(11) . . . . ?
C63 P4 C57 C62 56.2(8) . . . . ?
C44 P4 C57 C62 -50.8(8) . . . . ?
Ni2 P4 C57 C62 -172.9(6) . . . . ?
C63 P4 C57 C58 -177.9(6) . . . . ?
C44 P4 C57 C58 75.0(7) . . . . ?
Ni2 P4 C57 C58 -47.1(7) . . . . ?
C62 C57 C58 C59 -53.0(11) . . . . ?
P4 C57 C58 C59 178.1(7) . . . . ?
C57 C58 C59 C60 52.7(11) . . . . ?
C58 C59 C60 C61 -55.7(11) . . . . ?
C59 C60 C61 C62 57.9(11) . . . . ?
C60 C61 C62 C57 -57.7(10) . . . . ?
C58 C57 C62 C61 54.9(10) . . . . ?
P4 C57 C62 C61 178.6(6) . . . . ?
C57 P4 C63 C64 -179.1(6) . . . . ?
C44 P4 C63 C64 -68.9(7) . . . . ?
Ni2 P4 C63 C64 51.9(7) . . . . ?
C57 P4 C63 C68 59.0(7) . . . . ?
C44 P4 C63 C68 169.2(6) . . . . ?
Ni2 P4 C63 C68 -70.0(7) . . . . ?
C68 C63 C64 C65 -56.0(10) . . . . ?
P4 C63 C64 C65 -179.1(6) . . . . ?
C63 C64 C65 C66 57.8(11) . . . . ?
C64 C65 C66 C67 -58.1(11) . . . . ?
C65 C66 C67 C68 58.2(11) . . . . ?
C66 C67 C68 C63 -56.1(11) . . . . ?
C64 C63 C68 C67 55.2(10) . . . . ?
P4 C63 C68 C67 175.9(7) . . . . ?
C71 N5 B70 N6 -1.7(10) . . . . ?
C77 N5 B70 N6 174.0(7) . . . . ?
C71 N5 B70 Ni3 179.0(7) . . . . ?
C77 N5 B70 Ni3 -5.3(13) . . . . ?
C76 N6 B70 N5 1.8(9) . . . . ?
C78 N6 B70 N5 177.8(7) . . . . ?
C76 N6 B70 Ni3 -178.9(7) . . . . ?
C78 N6 B70 Ni3 -2.9(12) . . . . ?
B70 N5 C71 C72 -175.5(9) . . . . ?
C77 N5 C71 C72 9.4(15) . . . . ?
B70 N5 C71 C76 1.0(9) . . . . ?
C77 N5 C71 C76 -174.1(8) . . . . ?
N5 C71 C72 C73 178.6(9) . . . . ?
C76 C71 C72 C73 2.5(13) . . . . ?
C71 C72 C73 C74 -1.7(14) . . . . ?
C72 C73 C74 C75 1.1(15) . . . . ?
C73 C74 C75 C76 -1.3(14) . . . . ?
B70 N6 C76 C75 178.7(9) . . . . ?
C78 N6 C76 C75 3.3(15) . . . . ?
B70 N6 C76 C71 -1.3(9) . . . . ?
C78 N6 C76 C71 -176.8(8) . . . . ?
C74 C75 C76 N6 -177.9(9) . . . . ?
C74 C75 C76 C71 2.2(12) . . . . ?
N5 C71 C76 N6 0.2(8) . . . . ?
C72 C71 C76 N6 177.2(8) . . . . ?
N5 C71 C76 C75 -179.8(8) . . . . ?
C72 C71 C76 C75 -2.9(12) . . . . ?
C71 N5 C77 P5 -178.4(7) . . . . ?
B70 N5 C77 P5 6.8(9) . . . . ?
C85 P5 C77 N5 -128.4(6) . . . . ?
C79 P5 C77 N5 121.2(6) . . . . ?
Ni3 P5 C77 N5 -6.4(6) . . . . ?
C76 N6 C78 P6 179.3(7) . . . . ?
B70 N6 C78 P6 4.3(9) . . . . ?
C97 P6 C78 N6 -127.5(6) . . . . ?
C91 P6 C78 N6 120.6(6) . . . . ?
Ni3 P6 C78 N6 -4.3(6) . . . . ?
C85 P5 C79 C80 55.3(7) . . . . ?
C77 P5 C79 C80 165.6(7) . . . . ?
Ni3 P5 C79 C80 -71.7(7) . . . . ?
C85 P5 C79 C84 179.1(6) . . . . ?
C77 P5 C79 C84 -70.6(7) . . . . ?
Ni3 P5 C79 C84 52.1(7) . . . . ?
C84 C79 C80 C81 54.6(11) . . . . ?
P5 C79 C80 C81 178.5(7) . . . . ?
C79 C80 C81 C82 -55.4(12) . . . . ?
C80 C81 C82 C83 54.4(13) . . . . ?
C81 C82 C83 C84 -55.0(13) . . . . ?
C82 C83 C84 C79 55.8(12) . . . . ?
C80 C79 C84 C83 -55.6(11) . . . . ?
P5 C79 C84 C83 178.2(7) . . . . ?
C79 P5 C85 C90 52.6(8) . . . . ?
C77 P5 C85 C90 -54.2(8) . . . . ?
Ni3 P5 C85 C90 -176.3(6) . . . . ?
C79 P5 C85 C86 178.6(6) . . . . ?
C77 P5 C85 C86 71.8(7) . . . . ?
Ni3 P5 C85 C86 -50.3(7) . . . . ?
C90 C85 C86 C87 -54.0(10) . . . . ?
P5 C85 C86 C87 175.0(6) . . . . ?
C85 C86 C87 C88 54.5(11) . . . . ?
C86 C87 C88 C89 -55.6(11) . . . . ?
C87 C88 C89 C90 56.6(11) . . . . ?
C86 C85 C90 C89 55.2(10) . . . . ?
P5 C85 C90 C89 -179.4(7) . . . . ?
C88 C89 C90 C85 -57.5(11) . . . . ?
C97 P6 C91 C96 56.9(8) . . . . ?
C78 P6 C91 C96 166.5(7) . . . . ?
Ni3 P6 C91 C96 -71.6(8) . . . . ?
C97 P6 C91 C92 -178.9(7) . . . . ?
C78 P6 C91 C92 -69.3(7) . . . . ?
Ni3 P6 C91 C92 52.6(7) . . . . ?
C96 C91 C92 C93 -53.9(12) . . . . ?
P6 C91 C92 C93 179.6(8) . . . . ?
C91 C92 C93 C94 56.1(13) . . . . ?
C92 C93 C94 C95 -56.6(13) . . . . ?
C93 C94 C95 C96 56.2(12) . . . . ?
C92 C91 C96 C95 52.4(12) . . . . ?
P6 C91 C96 C95 176.2(8) . . . . ?
C94 C95 C96 C91 -54.5(12) . . . . ?
C91 P6 C97 C98 54.9(8) . . . . ?
C78 P6 C97 C98 -53.0(7) . . . . ?
Ni3 P6 C97 C98 -175.1(6) . . . . ?
C91 P6 C97 C102 179.7(6) . . . . ?
C78 P6 C97 C102 71.8(7) . . . . ?
Ni3 P6 C97 C102 -50.3(7) . . . . ?
C102 C97 C98 C99 53.6(10) . . . . ?
P6 C97 C98 C99 176.9(6) . . . . ?
C97 C98 C99 C100 -57.2(10) . . . . ?
C98 C99 C100 C101 57.9(11) . . . . ?
C99 C100 C101 C102 -56.5(11) . . . . ?
C100 C101 C102 C97 53.9(11) . . . . ?
C98 C97 C102 C101 -52.4(10) . . . . ?
P6 C97 C102 C101 179.3(6) . . . . ?
C103 C104 C105 C106 -173.8(10) . . . . ?
C104 C105 C106 C107 -173.0(11) . . . . ?
