#------------------------------------------------------------------------------
#$Date: 2026-03-05 13:56:10 +0100 (Thu 05 de Mar de 2026) $
#$Revision: 304924 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/00/7720032.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_7720032
loop_
_publ_author_name
'Liu, Junyang'
'Sum, Kethya'
'Johnson, Samuel A.'
_publ_section_title
;
 Mechanistic insight into cooperative catalysis with pentanuclear nickel
 clusters: catalytic alkene dimerization and silyl-silylene and silylyne
 clusters.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3882
_journal_page_last               3895
_journal_paper_doi               10.1039/d5dt02642c
_journal_volume                  55
_journal_year                    2026
_chemical_compound_source        synthesized
_chemical_formula_moiety         'C47  H117  Ni5  P5  Si'
_chemical_formula_sum            'C47 H117 Ni5 P5 Si'
_chemical_formula_weight         1158.89
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_audit_creation_date             2022-06-29T16:19:37-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-07-18 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.478(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.7736(12)
_cell_length_b                   20.5782(14)
_cell_length_c                   18.9188(13)
_cell_measurement_reflns_used    9057
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      32.59
_cell_measurement_theta_min      2.74
_cell_measurement_wavelength     0.71073
_cell_volume                     5995.8(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0816
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            305888
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.238
_diffrn_reflns_theta_min         2.516
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.723
_exptl_absorpt_correction_T_max  0.7792
_exptl_absorpt_correction_T_min  0.6893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     582
_refine_ls_number_reflns         22941
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0424P)²+0.5442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0881
_reflns_Friedel_coverage         0
_reflns_number_gt                17593
_reflns_number_total             22941
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02642c2.cif
_cod_data_source_block           mo_ks3_03m
_cod_depositor_comments
'Adding full bibliography for 7720030--7720032.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7720032
_shelx_estimated_absorpt_t_min   0.703
_shelx_estimated_absorpt_t_max   0.86
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.97946(2) 0.23834(2) 0.77040(2) 0.01846(4) Uani 1 1 d . . . . .
Ni2 Ni 0.86094(2) 0.16179(2) 0.75796(2) 0.01955(4) Uani 1 1 d . . . . .
Ni3 Ni 0.97116(2) 0.08511(2) 0.73256(2) 0.01915(4) Uani 1 1 d . . . . .
Ni4 Ni 1.07841(2) 0.15318(2) 0.66931(2) 0.01722(4) Uani 1 1 d . . . . .
Ni5 Ni 1.02601(2) 0.26669(2) 0.66059(2) 0.01734(4) Uani 1 1 d . . . . .
Si1 Si 0.93755(3) 0.17489(2) 0.66477(2) 0.01574(7) Uani 1 1 d . . . . .
P1 P 1.04193(3) 0.28778(2) 0.87275(2) 0.02595(9) Uani 1 1 d . . . . .
P2 P 0.71853(3) 0.16594(2) 0.74061(2) 0.02386(8) Uani 1 1 d . . . . .
P3 P 0.99398(3) -0.01000(2) 0.78870(2) 0.02637(9) Uani 1 1 d . . . . .
P4 P 1.20591(3) 0.12057(2) 0.65047(2) 0.02152(8) Uani 1 1 d . . . . .
P5 P 1.00697(3) 0.33762(2) 0.57193(2) 0.01874(7) Uani 1 1 d . . . . .
C1 C 0.85059(10) 0.17847(8) 0.57699(8) 0.0221(3) Uani 1 1 d . . . . .
H1A H 0.792352 0.177874 0.588647 0.027 Uiso 1 1 calc R U . . .
H1B H 0.856478 0.219642 0.551407 0.027 Uiso 1 1 calc R U . . .
C2 C 0.85880(14) 0.12103(10) 0.52745(10) 0.0404(5) Uani 1 1 d . . . . .
H2A H 0.914721 0.123404 0.51294 0.061 Uiso 1 1 calc R U . . .
H2B H 0.811552 0.122698 0.48429 0.061 Uiso 1 1 calc R U . . .
H2C H 0.855386 0.080238 0.553416 0.061 Uiso 1 1 calc R U . . .
C3 C 1.00447(16) 0.37403(10) 0.86837(11) 0.0454(5) Uani 1 1 d . . . . .
H3A H 1.031354 0.395188 0.830957 0.054 Uiso 1 1 calc R U . . .
C4 C 0.90555(17) 0.38031(11) 0.83977(13) 0.0518(6) Uani 1 1 d . . . . .
H4A H 0.875418 0.36638 0.87737 0.078 Uiso 1 1 calc R U . . .
H4B H 0.887495 0.352846 0.796829 0.078 Uiso 1 1 calc R U . . .
H4C H 0.890897 0.425695 0.826922 0.078 Uiso 1 1 calc R U . . .
C5 C 1.0357(2) 0.41386(13) 0.93787(15) 0.0713(9) Uani 1 1 d . . . . .
H5A H 1.019982 0.459589 0.928372 0.107 Uiso 1 1 calc R U . . .
H5B H 1.09894 0.410044 0.953535 0.107 Uiso 1 1 calc R U . . .
H5C H 1.008196 0.397319 0.976006 0.107 Uiso 1 1 calc R U . . .
C6 C 1.16260(13) 0.29821(12) 0.89117(10) 0.0435(5) Uani 1 1 d . . . . .
H6A H 1.183316 0.311945 0.942718 0.052 Uiso 1 1 calc R U . . .
C7 C 1.19034(18) 0.34886(16) 0.84280(13) 0.0658(8) Uani 1 1 d . . . . .
H7A H 1.253621 0.347774 0.848909 0.099 Uiso 1 1 calc R U . . .
H7B H 1.172399 0.391995 0.855956 0.099 Uiso 1 1 calc R U . . .
H7C H 1.162966 0.339622 0.792199 0.099 Uiso 1 1 calc R U . . .
C8 C 1.20782(16) 0.23348(16) 0.87947(16) 0.0675(8) Uani 1 1 d . . . . .
H8A H 1.188316 0.219551 0.829031 0.101 Uiso 1 1 calc R U . . .
H8B H 1.192859 0.200119 0.911672 0.101 Uiso 1 1 calc R U . . .
H8C H 1.270877 0.239833 0.890289 0.101 Uiso 1 1 calc R U . . .
C9 C 1.02816(14) 0.25682(10) 0.96231(10) 0.0360(4) Uani 1 1 d . . . . .
H9 H 1.064206 0.284033 1.001306 0.043 Uiso 1 1 calc R U . . .
C10 C 1.0574(2) 0.18683(13) 0.97386(14) 0.0720(9) Uani 1 1 d . . . . .
H10A H 1.044044 0.170621 1.018928 0.108 Uiso 1 1 calc R U . . .
H10B H 1.120139 0.184209 0.976961 0.108 Uiso 1 1 calc R U . . .
H10C H 1.026971 0.160352 0.933164 0.108 Uiso 1 1 calc R U . . .
C11 C 0.93454(17) 0.26045(17) 0.96914(15) 0.0698(9) Uani 1 1 d . . . . .
H11A H 0.897905 0.236445 0.929194 0.105 Uiso 1 1 calc R U . . .
H11B H 0.916037 0.305996 0.967309 0.105 Uiso 1 1 calc R U . . .
H11C H 0.929001 0.241273 1.015338 0.105 Uiso 1 1 calc R U . . .
C12 C 0.66020(11) 0.22481(9) 0.67189(10) 0.0298(3) Uani 1 1 d . . . . .
H12 H 0.653673 0.202721 0.623939 0.036 Uiso 1 1 calc R U . . .
C13 C 0.71564(13) 0.28517(9) 0.66818(12) 0.0391(4) Uani 1 1 d . . . . .
H13A H 0.687292 0.312462 0.627437 0.059 Uiso 1 1 calc R U . . .
H13B H 0.773007 0.271916 0.661362 0.059 Uiso 1 1 calc R U . . .
H13C H 0.722131 0.309821 0.713355 0.059 Uiso 1 1 calc R U . . .
C14 C 0.56824(13) 0.24448(11) 0.67808(13) 0.0442(5) Uani 1 1 d . . . . .
H14A H 0.570663 0.265734 0.724826 0.066 Uiso 1 1 calc R U . . .
H14B H 0.531571 0.205658 0.674509 0.066 Uiso 1 1 calc R U . . .
H14C H 0.543761 0.274601 0.638845 0.066 Uiso 1 1 calc R U . . .
C15 C 0.68073(13) 0.18576(11) 0.82478(10) 0.0386(4) Uani 1 1 d . . . . .
H15 H 0.615997 0.182158 0.814434 0.046 Uiso 1 1 calc R U . . .
C16 C 0.70620(15) 0.25493(13) 0.85035(12) 0.0494(6) Uani 1 1 d . . . . .
H16A H 0.694103 0.261576 0.898507 0.074 Uiso 1 1 calc R U . . .
H16B H 0.672543 0.286099 0.816291 0.074 Uiso 1 1 calc R U . . .
H16C H 0.768273 0.261464 0.852624 0.074 Uiso 1 1 calc R U . . .
C17 C 0.71898(17) 0.13641(15) 0.88366(13) 0.0595(7) Uani 1 1 d . . . . .
H17A H 0.782514 0.13859 0.893455 0.089 Uiso 1 1 calc R U . . .
H17B H 0.699908 0.092588 0.867189 0.089 Uiso 1 1 calc R U . . .
H17C H 0.698997 0.146484 0.928001 0.089 Uiso 1 1 calc R U . . .
C18 C 0.66547(12) 0.08701(9) 0.71156(12) 0.0348(4) Uani 1 1 d . . . . .
H18 H 0.695108 0.054521 0.747933 0.042 Uiso 1 1 calc R U . . .
C19 C 0.68520(15) 0.06558(10) 0.63911(12) 0.0446(5) Uani 1 1 d . . . . .
H19A H 0.666931 0.020356 0.629338 0.067 Uiso 1 1 calc R U . . .
H19B H 0.747697 0.069237 0.64148 0.067 Uiso 1 1 calc R U . . .
H19C H 0.653573 0.093473 0.600246 0.067 Uiso 1 1 calc R U . . .
C20 C 0.56847(15) 0.08016(12) 0.71013(19) 0.0648(8) Uani 1 1 d . . . . .
H20A H 0.534931 0.105021 0.66935 0.097 Uiso 1 1 calc R U . . .
H20B H 0.55649 0.096834 0.755502 0.097 Uiso 1 1 calc R U . . .
H20C H 0.551893 0.03424 0.704614 0.097 Uiso 1 1 calc R U . . .
C21 C 0.90648(14) -0.03878(11) 0.83399(13) 0.0472(6) Uani 1 1 d . . . . .
H21 H 0.925228 -0.08135 0.857787 0.057 Uiso 1 1 calc R U . . .
C22 C 0.89445(18) 0.00889(15) 0.89257(15) 0.0658(8) Uani 1 1 d . . . . .
H22A H 0.884466 0.052562 0.871782 0.099 Uiso 1 1 calc R U . . .
H22B H 0.946743 0.00912 0.931503 0.099 Uiso 1 1 calc R U . . .
H22C H 0.844404 -0.004331 0.912129 0.099 Uiso 1 1 calc R U . . .
C23 C 0.82075(15) -0.04965(12) 0.77948(17) 0.0604(7) Uani 1 1 d . . . . .
H23A H 0.774985 -0.059931 0.805439 0.091 Uiso 1 1 calc R U . . .
H23B H 0.827242 -0.085838 0.747387 0.091 Uiso 1 1 calc R U . . .
H23C H 0.805104 -0.01015 0.750679 0.091 Uiso 1 1 calc R U . . .
C24 C 0.99667(13) -0.07861(9) 0.72448(11) 0.0362(4) Uani 1 1 d . . . . .
H24 H 0.973291 -0.118307 0.744093 0.043 Uiso 1 1 calc R U . . .
C25 C 1.08740(15) -0.09402(11) 0.71336(13) 0.0470(5) Uani 1 1 d . . . . .
H25A H 1.083418 -0.12631 0.674701 0.07 Uiso 1 1 calc R U . . .
H25B H 1.122908 -0.1114 0.758359 0.07 Uiso 1 1 calc R U . . .
H25C H 1.114218 -0.054256 0.699855 0.07 Uiso 1 1 calc R U . . .
C26 C 0.93802(17) -0.06269(11) 0.65065(13) 0.0533(6) Uani 1 1 d . . . . .
H26A H 0.962261 -0.025738 0.628979 0.08 Uiso 1 1 calc R U . . .
H26B H 0.879734 -0.051634 0.657108 0.08 Uiso 1 1 calc R U . . .
H26C H 0.934601 -0.100544 0.61872 0.08 Uiso 1 1 calc R U . . .
C27 C 1.09506(12) -0.02333(8) 0.85933(9) 0.0299(4) Uani 1 1 d . . . . .
H27 H 1.142955 -0.027723 0.832596 0.036 Uiso 1 1 calc R U . . .
C28 C 1.09773(15) -0.08558(10) 0.90450(12) 0.0432(5) Uani 1 1 d . . . . .
H28A H 1.156188 -0.091389 0.934496 0.065 Uiso 1 1 calc R U . . .
H28B H 1.082943 -0.12299 0.87212 0.065 Uiso 1 1 calc R U . . .
H28C H 1.055779 -0.082104 0.935701 0.065 Uiso 1 1 calc R U . . .
C29 C 1.11787(16) 0.03618(10) 0.90817(11) 0.0431(5) Uani 1 1 d . . . . .
H29A H 1.079361 0.038108 0.942414 0.065 Uiso 1 1 calc R U . . .
H29B H 1.110594 0.075619 0.87844 0.065 Uiso 1 1 calc R U . . .
H29C H 1.178278 0.03293 0.934945 0.065 Uiso 1 1 calc R U . . .
C30 C 1.18065(12) 0.08390(9) 0.55742(10) 0.0330(4) Uani 1 1 d . . . . .
H30 H 1.15543 0.119847 0.523828 0.04 Uiso 1 1 calc R U . . .
C31 C 1.25717(16) 0.05712(13) 0.52831(13) 0.0529(6) Uani 1 1 d . . . . .
H31A H 1.281253 0.018972 0.556671 0.079 Uiso 1 1 calc R U . . .
H31B H 1.302125 0.090596 0.532194 0.079 Uiso 1 1 calc R U . . .
H31C H 1.237022 0.044666 0.477444 0.079 Uiso 1 1 calc R U . . .
C32 C 1.10942(14) 0.03360(11) 0.55174(11) 0.0431(5) Uani 1 1 d . . . . .
H32A H 1.089459 0.020552 0.501052 0.065 Uiso 1 1 calc R U . . .
H32B H 1.060761 0.05216 0.569554 0.065 Uiso 1 1 calc R U . . .
H32C H 1.131955 -0.004472 0.580942 0.065 Uiso 1 1 calc R U . . .
C33 C 1.26393(11) 0.05573(9) 0.71044(10) 0.0325(4) Uani 1 1 d . . . . .
H33 H 1.232931 0.014147 0.694276 0.039 Uiso 1 1 calc R U . . .
C34 C 1.25368(13) 0.06753(11) 0.78723(11) 0.0427(5) Uani 1 1 d . . . . .
H34A H 1.275573 0.029845 0.817355 0.064 Uiso 1 1 calc R U . . .
H34B H 1.192148 0.074093 0.787261 0.064 Uiso 1 1 calc R U . . .
H34C H 1.286686 0.106292 0.806738 0.064 Uiso 1 1 calc R U . . .
C35 C 1.35960(13) 0.04429(12) 0.70976(14) 0.0495(6) Uani 1 1 d . . . . .
H35A H 1.394203 0.081228 0.732597 0.074 Uiso 1 1 calc R U . . .
H35B H 1.36619 0.039864 0.659646 0.074 Uiso 1 1 calc R U . . .
H35C H 1.379692 0.004462 0.736588 0.074 Uiso 1 1 calc R U . . .
C36 C 1.29286(11) 0.18043(9) 0.64355(10) 0.0287(3) Uani 1 1 d . . . . .
H36 H 1.34488 0.156091 0.635613 0.034 Uiso 1 1 calc R U . . .
C37 C 1.31870(14) 0.21927(10) 0.71335(11) 0.0400(4) Uani 1 1 d . . . . .
H37A H 1.362608 0.251597 0.708237 0.06 Uiso 1 1 calc R U . . .
H37B H 1.342636 0.189856 0.753436 0.06 Uiso 1 1 calc R U . . .
H37C H 1.267504 0.24137 0.723318 0.06 Uiso 1 1 calc R U . . .
C38 C 1.26215(13) 0.22629(9) 0.57935(11) 0.0364(4) Uani 1 1 d . . . . .
H38A H 1.206248 0.245467 0.582574 0.055 Uiso 1 1 calc R U . . .
H38B H 1.25548 0.201836 0.534025 0.055 Uiso 1 1 calc R U . . .
H38C H 1.305082 0.260892 0.58036 0.055 Uiso 1 1 calc R U . . .
C39 C 1.11342(11) 0.37648(8) 0.56950(9) 0.0238(3) Uani 1 1 d . . . . .
H39 H 1.142256 0.347329 0.539507 0.029 Uiso 1 1 calc R U . . .
C40 C 1.17221(12) 0.37678(9) 0.64570(9) 0.0324(4) Uani 1 1 d . . . . .
H40A H 1.230684 0.390925 0.642808 0.049 Uiso 1 1 calc R U . . .
H40B H 1.175001 0.332875 0.666151 0.049 Uiso 1 1 calc R U . . .
H40C H 1.148429 0.406717 0.676741 0.049 Uiso 1 1 calc R U . . .
C41 C 1.11168(13) 0.44433(9) 0.53566(11) 0.0356(4) Uani 1 1 d . . . . .
H41A H 1.087721 0.475568 0.565229 0.053 Uiso 1 1 calc R U . . .
H41B H 1.075348 0.44349 0.486603 0.053 Uiso 1 1 calc R U . . .
H41C H 1.17087 0.457276 0.533541 0.053 Uiso 1 1 calc R U . . .
C42 C 0.96793(11) 0.30548(8) 0.47832(9) 0.0275(3) Uani 1 1 d . . . . .
H42 H 0.907309 0.289872 0.475777 0.033 Uiso 1 1 calc R U . . .
C43 C 1.01937(15) 0.24619(10) 0.46354(10) 0.0408(5) Uani 1 1 d . . . . .
H43A H 0.993513 0.228638 0.415577 0.061 Uiso 1 1 calc R U . . .
H43B H 1.018026 0.212981 0.500411 0.061 Uiso 1 1 calc R U . . .
H43C H 1.079658 0.258833 0.465138 0.061 Uiso 1 1 calc R U . . .
C44 C 0.96220(17) 0.35406(11) 0.41634(10) 0.0457(5) Uani 1 1 d . . . . .
H44A H 1.020813 0.367536 0.413067 0.068 Uiso 1 1 calc R U . . .
H44B H 0.928914 0.392185 0.425492 0.068 Uiso 1 1 calc R U . . .
H44C H 0.933187 0.333599 0.370742 0.068 Uiso 1 1 calc R U . . .
C45 C 0.93135(12) 0.40636(8) 0.57355(10) 0.0287(3) Uani 1 1 d . . . . .
H45 H 0.936979 0.437242 0.534009 0.034 Uiso 1 1 calc R U . . .
C46 C 0.95300(17) 0.44307(10) 0.64517(11) 0.0460(5) Uani 1 1 d . . . . .
H46A H 0.912174 0.479173 0.643851 0.069 Uiso 1 1 calc R U . . .
H46B H 1.012307 0.460103 0.652914 0.069 Uiso 1 1 calc R U . . .
H46C H 0.948422 0.41352 0.684804 0.069 Uiso 1 1 calc R U . . .
C47 C 0.83751(14) 0.38260(12) 0.55933(15) 0.0508(6) Uani 1 1 d . . . . .
H47A H 0.831755 0.349263 0.59498 0.076 Uiso 1 1 calc R U . . .
H47B H 0.821476 0.364118 0.510519 0.076 Uiso 1 1 calc R U . . .
H47C H 0.799048 0.419183 0.563352 0.076 Uiso 1 1 calc R U . . .
H1 H 0.8785(16) 0.2317(12) 0.7860(13) 0.056(7) Uiso 1 1 d . . . . .
H2 H 0.9821(13) 0.3015(10) 0.7153(11) 0.037(6) Uiso 1 1 d . . . . .
H3 H 0.9623(15) 0.1564(11) 0.7955(12) 0.048(7) Uiso 1 1 d . . . . .
H4 H 1.0657(17) 0.2245(12) 0.7320(14) 0.061(8) Uiso 1 1 d . . . . .
H5 H 0.8681(14) 0.0886(10) 0.7360(12) 0.042(6) Uiso 1 1 d . . . . .
H6 H 1.0751(16) 0.2215(12) 0.6205(13) 0.057(7) Uiso 1 1 d . . . . .
H7 H 1.0566(14) 0.0823(10) 0.7039(11) 0.041(6) Uiso 1 1 d . . . . .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
P1 Ni1 Si1 169.313(19) . . ?
P1 Ni1 Ni2 124.872(15) . . ?
Si1 Ni1 Ni2 59.171(12) . . ?
P1 Ni1 Ni5 118.575(15) . . ?
Si1 Ni1 Ni5 59.174(12) . . ?
Ni2 Ni1 Ni5 116.450(11) . . ?
P1 Ni1 H1 98.2(8) . . ?
Si1 Ni1 H1 90.0(8) . . ?
Ni2 Ni1 H1 39.2(8) . . ?
Ni5 Ni1 H1 130.0(8) . . ?
P1 Ni1 H2 97.0(7) . . ?
Si1 Ni1 H2 86.7(7) . . ?
Ni2 Ni1 H2 124.7(7) . . ?
Ni5 Ni1 H2 39.2(7) . . ?
H1 Ni1 H2 108.8(11) . . ?
P1 Ni1 H3 105.4(7) . . ?
Si1 Ni1 H3 70.8(7) . . ?
Ni2 Ni1 H3 41.7(8) . . ?
Ni5 Ni1 H3 123.1(7) . . ?
H1 Ni1 H3 71.0(11) . . ?
H2 Ni1 H3 157.5(10) . . ?
P1 Ni1 H4 101.8(9) . . ?
Si1 Ni1 H4 69.4(9) . . ?
Ni2 Ni1 H4 121.6(9) . . ?
Ni5 Ni1 H4 41.7(9) . . ?
H1 Ni1 H4 159.2(12) . . ?
H2 Ni1 H4 74.6(11) . . ?
H3 Ni1 H4 97.9(11) . . ?
P2 Ni2 Si1 123.742(18) . . ?
P2 Ni2 Ni1 137.095(16) . . ?
Si1 Ni2 Ni1 59.192(12) . . ?
P2 Ni2 Ni3 137.243(15) . . ?
Si1 Ni2 Ni3 55.375(12) . . ?
Ni1 Ni2 Ni3 82.713(11) . . ?
P2 Ni2 H1 96.7(9) . . ?
Si1 Ni2 H1 93.9(9) . . ?
Ni1 Ni2 H1 43.8(9) . . ?
Ni3 Ni2 H1 125.7(9) . . ?
P2 Ni2 H3 162.7(8) . . ?
Si1 Ni2 H3 73.5(8) . . ?
Ni1 Ni2 H3 47.7(8) . . ?
Ni3 Ni2 H3 50.7(8) . . ?
H1 Ni2 H3 79.9(12) . . ?
P2 Ni2 H5 97.3(8) . . ?
Si1 Ni2 H5 80.5(8) . . ?
Ni1 Ni2 H5 123.5(8) . . ?
Ni3 Ni2 H5 40.9(8) . . ?
H1 Ni2 H5 165.8(13) . . ?
H3 Ni2 H5 86.0(11) . . ?
P3 Ni3 Si1 173.079(19) . . ?
P3 Ni3 Ni2 121.226(15) . . ?
Si1 Ni3 Ni2 59.776(13) . . ?
P3 Ni3 Ni4 128.627(15) . . ?
Si1 Ni3 Ni4 53.625(12) . . ?
Ni2 Ni3 Ni4 107.021(10) . . ?
P3 Ni3 H3 113.9(7) . . ?
Si1 Ni3 H3 71.6(7) . . ?
Ni2 Ni3 H3 40.6(7) . . ?
Ni4 Ni3 H3 90.9(7) . . ?
P3 Ni3 H5 94.6(8) . . ?
Si1 Ni3 H5 82.7(7) . . ?
Ni2 Ni3 H5 38.7(7) . . ?
Ni4 Ni3 H5 136.3(8) . . ?
H3 Ni3 H5 74.7(10) . . ?
P3 Ni3 H7 94.0(8) . . ?
Si1 Ni3 H7 87.0(8) . . ?
Ni2 Ni3 H7 142.1(8) . . ?
Ni4 Ni3 H7 35.4(8) . . ?
H3 Ni3 H7 115.5(11) . . ?
H5 Ni3 H7 162.4(11) . . ?
P4 Ni4 Si1 167.173(18) . . ?
P4 Ni4 Ni5 125.196(14) . . ?
Si1 Ni4 Ni5 59.765(12) . . ?
P4 Ni4 Ni3 126.640(14) . . ?
Si1 Ni4 Ni3 53.498(12) . . ?
Ni5 Ni4 Ni3 106.888(10) . . ?
P4 Ni4 H4 123.2(8) . . ?
Si1 Ni4 H4 68.8(8) . . ?
Ni5 Ni4 H4 40.7(8) . . ?
Ni3 Ni4 H4 87.9(8) . . ?
P4 Ni4 H6 95.0(9) . . ?
Si1 Ni4 H6 84.2(8) . . ?
Ni5 Ni4 H6 36.9(8) . . ?
Ni3 Ni4 H6 137.7(9) . . ?
H4 Ni4 H6 72.9(11) . . ?
P4 Ni4 H7 94.0(8) . . ?
Si1 Ni4 H7 84.4(8) . . ?
Ni5 Ni4 H7 139.5(8) . . ?
Ni3 Ni4 H7 32.8(8) . . ?
H4 Ni4 H7 111.6(11) . . ?
H6 Ni4 H7 165.2(11) . . ?
P5 Ni5 Si1 125.008(17) . . ?
P5 Ni5 Ni1 143.111(15) . . ?
Si1 Ni5 Ni1 59.134(12) . . ?
P5 Ni5 Ni4 131.923(14) . . ?
Si1 Ni5 Ni4 55.448(12) . . ?
Ni1 Ni5 Ni4 82.761(9) . . ?
P5 Ni5 H2 101.3(8) . . ?
Si1 Ni5 H2 89.7(8) . . ?
Ni1 Ni5 H2 43.3(8) . . ?
Ni4 Ni5 H2 126.0(8) . . ?
P5 Ni5 H4 164.1(9) . . ?
Si1 Ni5 H4 70.5(9) . . ?
Ni1 Ni5 H4 44.5(9) . . ?
Ni4 Ni5 H4 51.1(9) . . ?
H2 Ni5 H4 80.6(12) . . ?
P5 Ni5 H6 91.5(9) . . ?
Si1 Ni5 H6 84.0(9) . . ?
Ni1 Ni5 H6 124.4(9) . . ?
Ni4 Ni5 H6 41.7(9) . . ?
H2 Ni5 H6 167.1(12) . . ?
H4 Ni5 H6 86.7(13) . . ?
C1 Si1 Ni3 124.32(5) . . ?
C1 Si1 Ni4 123.90(5) . . ?
Ni3 Si1 Ni4 72.877(14) . . ?
C1 Si1 Ni2 105.44(5) . . ?
Ni3 Si1 Ni2 64.850(13) . . ?
Ni4 Si1 Ni2 127.597(19) . . ?
C1 Si1 Ni1 136.98(5) . . ?
Ni3 Si1 Ni1 89.034(16) . . ?
Ni4 Si1 Ni1 89.075(16) . . ?
Ni2 Si1 Ni1 61.637(13) . . ?
C1 Si1 Ni5 104.97(5) . . ?
Ni3 Si1 Ni5 127.530(19) . . ?
Ni4 Si1 Ni5 64.787(13) . . ?
Ni2 Si1 Ni5 121.238(18) . . ?
Ni1 Si1 Ni5 61.692(12) . . ?
C9 P1 C3 105.49(10) . . ?
C9 P1 C6 100.56(9) . . ?
C3 P1 C6 101.46(11) . . ?
C9 P1 Ni1 121.22(7) . . ?
C3 P1 Ni1 108.69(7) . . ?
C6 P1 Ni1 117.18(7) . . ?
C18 P2 C15 103.76(10) . . ?
C18 P2 C12 103.82(9) . . ?
C15 P2 C12 104.63(9) . . ?
C18 P2 Ni2 113.01(6) . . ?
C15 P2 Ni2 112.71(7) . . ?
C12 P2 Ni2 117.55(6) . . ?
C27 P3 C24 102.62(9) . . ?
C27 P3 C21 103.07(9) . . ?
C24 P3 C21 100.43(11) . . ?
C27 P3 Ni3 119.84(6) . . ?
C24 P3 Ni3 112.29(6) . . ?
C21 P3 Ni3 116.04(7) . . ?
C33 P4 C36 104.12(8) . . ?
C33 P4 C30 105.10(9) . . ?
C36 P4 C30 102.09(8) . . ?
C33 P4 Ni4 117.54(6) . . ?
C36 P4 Ni4 121.05(6) . . ?
C30 P4 Ni4 104.82(6) . . ?
C45 P5 C42 101.80(8) . . ?
C45 P5 C39 104.98(8) . . ?
C42 P5 C39 104.02(8) . . ?
C45 P5 Ni5 118.48(6) . . ?
C42 P5 Ni5 116.89(6) . . ?
C39 P5 Ni5 109.15(5) . . ?
C2 C1 Si1 111.22(11) . . ?
C2 C1 H1A 109.4 . . ?
Si1 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
Si1 C1 H1B 109.4 . . ?
H1A C1 H1B 108 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C5 C3 C4 111.6(2) . . ?
C5 C3 P1 115.40(17) . . ?
C4 C3 P1 112.44(15) . . ?
C5 C3 H3A 105.5 . . ?
C4 C3 H3A 105.5 . . ?
P1 C3 H3A 105.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C8 107.7(2) . . ?
C7 C6 P1 112.44(17) . . ?
C8 C6 P1 110.85(16) . . ?
C7 C6 H6A 108.6 . . ?
C8 C6 H6A 108.6 . . ?
P1 C6 H6A 108.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 C10 107.9(2) . . ?
C11 C9 P1 111.60(15) . . ?
C10 C9 P1 111.36(14) . . ?
C11 C9 H9 108.6 . . ?
C10 C9 H9 108.6 . . ?
P1 C9 H9 108.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 110.40(16) . . ?
C13 C12 P2 111.00(13) . . ?
C14 C12 P2 116.72(14) . . ?
C13 C12 H12 106 . . ?
C14 C12 H12 106 . . ?
P2 C12 H12 106 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 110.6(2) . . ?
C16 C15 P2 111.33(14) . . ?
C17 C15 P2 109.15(15) . . ?
C16 C15 H15 108.6 . . ?
C17 C15 H15 108.6 . . ?
P2 C15 H15 108.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 C18 C19 110.64(19) . . ?
C20 C18 P2 118.11(15) . . ?
C19 C18 P2 110.52(13) . . ?
C20 C18 H18 105.5 . . ?
C19 C18 H18 105.5 . . ?
P2 C18 H18 105.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C23 110.7(2) . . ?
C22 C21 P3 110.47(17) . . ?
C23 C21 P3 111.70(16) . . ?
C22 C21 H21 107.9 . . ?
C23 C21 H21 107.9 . . ?
P3 C21 H21 107.9 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C26 108.55(19) . . ?
C25 C24 P3 113.63(14) . . ?
C26 C24 P3 109.66(14) . . ?
C25 C24 H24 108.3 . . ?
C26 C24 H24 108.3 . . ?
P3 C24 H24 108.3 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C29 C27 C28 110.93(16) . . ?
C29 C27 P3 111.59(13) . . ?
C28 C27 P3 115.96(14) . . ?
C29 C27 H27 105.8 . . ?
C28 C27 H27 105.8 . . ?
P3 C27 H27 105.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C30 C31 110.99(18) . . ?
C32 C30 P4 110.20(13) . . ?
C31 C30 P4 117.21(15) . . ?
C32 C30 H30 105.9 . . ?
C31 C30 H30 105.9 . . ?
P4 C30 H30 105.9 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C35 110.02(17) . . ?
C34 C33 P4 109.24(13) . . ?
C35 C33 P4 117.49(13) . . ?
C34 C33 H33 106.5 . . ?
C35 C33 H33 106.5 . . ?
P4 C33 H33 106.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 C38 110.13(16) . . ?
C37 C36 P4 110.39(12) . . ?
C38 C36 P4 110.52(12) . . ?
C37 C36 H36 108.6 . . ?
C38 C36 H36 108.6 . . ?
P4 C36 H36 108.6 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C41 C39 C40 109.92(14) . . ?
C41 C39 P5 117.68(13) . . ?
C40 C39 P5 109.99(11) . . ?
C41 C39 H39 106.2 . . ?
C40 C39 H39 106.2 . . ?
P5 C39 H39 106.2 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C44 109.17(16) . . ?
C43 C42 P5 112.23(12) . . ?
C44 C42 P5 116.67(13) . . ?
C43 C42 H42 106 . . ?
C44 C42 H42 106 . . ?
P5 C42 H42 106 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C47 109.74(18) . . ?
C46 C45 P5 111.80(13) . . ?
C47 C45 P5 110.82(13) . . ?
C46 C45 H45 108.1 . . ?
C47 C45 H45 108.1 . . ?
P5 C45 H45 108.1 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 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 P1 2.2206(5) . ?
Ni1 Si1 2.3590(5) . ?
Ni1 Ni2 2.4168(3) . ?
Ni1 Ni5 2.4196(3) . ?
Ni1 H1 1.69(2) . ?
Ni1 H2 1.67(2) . ?
Ni1 H3 1.79(2) . ?
Ni1 H4 1.70(3) . ?
Ni2 P2 2.2005(5) . ?
Ni2 Si1 2.3585(5) . ?
Ni2 Ni3 2.4707(3) . ?
Ni2 H1 1.54(2) . ?
Ni2 H3 1.61(2) . ?
Ni2 H5 1.57(2) . ?
Ni3 P3 2.2188(5) . ?
Ni3 Si1 2.2461(4) . ?
Ni3 Ni4 2.6703(3) . ?
Ni3 H3 1.91(2) . ?
Ni3 H5 1.64(2) . ?
Ni3 H7 1.56(2) . ?
Ni4 P4 2.2207(5) . ?
Ni4 Si1 2.2497(5) . ?
Ni4 Ni5 2.4713(3) . ?
Ni4 H4 1.93(3) . ?
Ni4 H6 1.68(3) . ?
Ni4 H7 1.67(2) . ?
Ni5 P5 2.1947(4) . ?
Ni5 Si1 2.3600(4) . ?
Ni5 H2 1.54(2) . ?
Ni5 H4 1.61(3) . ?
Ni5 H6 1.51(2) . ?
Si1 C1 1.9131(15) . ?
P1 C9 1.8664(18) . ?
P1 C3 1.867(2) . ?
P1 C6 1.872(2) . ?
P2 C18 1.8551(19) . ?
P2 C15 1.8623(19) . ?
P2 C12 1.8675(18) . ?
P3 C27 1.8661(18) . ?
P3 C24 1.869(2) . ?
P3 C21 1.871(2) . ?
P4 C33 1.8592(17) . ?
P4 C36 1.8691(17) . ?
P4 C30 1.8772(19) . ?
P5 C45 1.8547(17) . ?
P5 C42 1.8659(17) . ?
P5 C39 1.8693(16) . ?
C1 C2 1.531(2) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 H2A 0.98 . ?
C2 H2B 0.98 . ?
C2 H2C 0.98 . ?
C3 C5 1.537(3) . ?
C3 C4 1.542(3) . ?
C3 H3A 1 . ?
C4 H4A 0.98 . ?
C4 H4B 0.98 . ?
C4 H4C 0.98 . ?
C5 H5A 0.98 . ?
C5 H5B 0.98 . ?
C5 H5C 0.98 . ?
C6 C7 1.513(3) . ?
C6 C8 1.549(4) . ?
C6 H6A 1 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C11 1.512(3) . ?
C9 C10 1.514(3) . ?
C9 H9 1 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 C13 1.529(3) . ?
C12 C14 1.535(3) . ?
C12 H12 1 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 C16 1.529(3) . ?
C15 C17 1.532(3) . ?
C15 H15 1 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 C20 1.531(3) . ?
C18 C19 1.534(3) . ?
C18 H18 1 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C21 C22 1.522(4) . ?
C21 C23 1.529(3) . ?
C21 H21 1 . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
C24 C25 1.524(3) . ?
C24 C26 1.535(3) . ?
C24 H24 1 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 C29 1.529(3) . ?
C27 C28 1.535(2) . ?
C27 H27 1 . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 C32 1.514(3) . ?
C30 C31 1.533(3) . ?
C30 H30 1 . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 C34 1.516(3) . ?
C33 C35 1.530(3) . ?
C33 H33 1 . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C35 H35A 0.98 . ?
C35 H35B 0.98 . ?
C35 H35C 0.98 . ?
C36 C37 1.522(3) . ?
C36 C38 1.532(2) . ?
C36 H36 1 . ?
C37 H37A 0.98 . ?
C37 H37B 0.98 . ?
C37 H37C 0.98 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 C41 1.534(2) . ?
C39 C40 1.536(2) . ?
C39 H39 1 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 H41A 0.98 . ?
C41 H41B 0.98 . ?
C41 H41C 0.98 . ?
C42 C43 1.524(3) . ?
C42 C44 1.529(3) . ?
C42 H42 1 . ?
C43 H43A 0.98 . ?
C43 H43B 0.98 . ?
C43 H43C 0.98 . ?
C44 H44A 0.98 . ?
C44 H44B 0.98 . ?
C44 H44C 0.98 . ?
C45 C46 1.524(3) . ?
C45 C47 1.527(3) . ?
C45 H45 1 . ?
C46 H46A 0.98 . ?
C46 H46B 0.98 . ?
C46 H46C 0.98 . ?
C47 H47A 0.98 . ?
C47 H47B 0.98 . ?
C47 H47C 0.98 . ?
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
C9 P1 C3 C5 43.6(2) . . . . ?
C6 P1 C3 C5 -60.9(2) . . . . ?
Ni1 P1 C3 C5 175.03(19) . . . . ?
C9 P1 C3 C4 -86.00(17) . . . . ?
C6 P1 C3 C4 169.51(16) . . . . ?
Ni1 P1 C3 C4 45.42(18) . . . . ?
C9 P1 C6 C7 -154.50(18) . . . . ?
C3 P1 C6 C7 -46.1(2) . . . . ?
Ni1 P1 C6 C7 72.0(2) . . . . ?
C9 P1 C6 C8 84.91(17) . . . . ?
C3 P1 C6 C8 -166.73(17) . . . . ?
Ni1 P1 C6 C8 -48.59(18) . . . . ?
C3 P1 C9 C11 60.1(2) . . . . ?
C6 P1 C9 C11 165.2(2) . . . . ?
Ni1 P1 C9 C11 -63.8(2) . . . . ?
C3 P1 C9 C10 -179.27(19) . . . . ?
C6 P1 C9 C10 -74.1(2) . . . . ?
Ni1 P1 C9 C10 56.9(2) . . . . ?
C18 P2 C12 C13 -157.52(14) . . . . ?
C15 P2 C12 C13 93.98(15) . . . . ?
Ni2 P2 C12 C13 -31.90(15) . . . . ?
C18 P2 C12 C14 74.80(17) . . . . ?
C15 P2 C12 C14 -33.69(17) . . . . ?
Ni2 P2 C12 C14 -159.58(13) . . . . ?
C18 P2 C15 C16 -170.82(15) . . . . ?
C12 P2 C15 C16 -62.27(17) . . . . ?
Ni2 P2 C15 C16 66.58(16) . . . . ?
C18 P2 C15 C17 66.80(18) . . . . ?
C12 P2 C15 C17 175.35(16) . . . . ?
Ni2 P2 C15 C17 -55.80(18) . . . . ?
C15 P2 C18 C20 47.4(2) . . . . ?
C12 P2 C18 C20 -61.8(2) . . . . ?
Ni2 P2 C18 C20 169.78(17) . . . . ?
C15 P2 C18 C19 176.19(14) . . . . ?
C12 P2 C18 C19 67.05(15) . . . . ?
Ni2 P2 C18 C19 -61.41(15) . . . . ?
C27 P3 C21 C22 71.86(17) . . . . ?
C24 P3 C21 C22 177.57(16) . . . . ?
Ni3 P3 C21 C22 -61.14(18) . . . . ?
C27 P3 C21 C23 -164.42(16) . . . . ?
C24 P3 C21 C23 -58.70(18) . . . . ?
Ni3 P3 C21 C23 62.58(19) . . . . ?
C27 P3 C24 C25 -38.29(16) . . . . ?
C21 P3 C24 C25 -144.37(15) . . . . ?
Ni3 P3 C24 C25 91.72(15) . . . . ?
C27 P3 C24 C26 -159.95(16) . . . . ?
C21 P3 C24 C26 93.97(17) . . . . ?
Ni3 P3 C24 C26 -29.94(17) . . . . ?
C24 P3 C27 C29 166.34(14) . . . . ?
C21 P3 C27 C29 -89.63(15) . . . . ?
Ni3 P3 C27 C29 41.12(15) . . . . ?
C24 P3 C27 C28 -65.35(16) . . . . ?
C21 P3 C27 C28 38.68(17) . . . . ?
Ni3 P3 C27 C28 169.44(13) . . . . ?
C33 P4 C30 C32 72.17(15) . . . . ?
C36 P4 C30 C32 -179.40(14) . . . . ?
Ni4 P4 C30 C32 -52.36(15) . . . . ?
C33 P4 C30 C31 -56.03(18) . . . . ?
C36 P4 C30 C31 52.40(18) . . . . ?
Ni4 P4 C30 C31 179.44(15) . . . . ?
C36 P4 C33 C34 97.09(14) . . . . ?
C30 P4 C33 C34 -155.95(13) . . . . ?
Ni4 P4 C33 C34 -39.88(15) . . . . ?
C36 P4 C33 C35 -29.09(19) . . . . ?
C30 P4 C33 C35 77.87(18) . . . . ?
Ni4 P4 C33 C35 -166.05(15) . . . . ?
C33 P4 C36 C37 -74.58(15) . . . . ?
C30 P4 C36 C37 176.24(13) . . . . ?
Ni4 P4 C36 C37 60.49(14) . . . . ?
C33 P4 C36 C38 163.35(14) . . . . ?
C30 P4 C36 C38 54.16(15) . . . . ?
Ni4 P4 C36 C38 -61.58(15) . . . . ?
C45 P5 C39 C41 -27.18(15) . . . . ?
C42 P5 C39 C41 79.38(15) . . . . ?
Ni5 P5 C39 C41 -155.16(12) . . . . ?
C45 P5 C39 C40 99.70(13) . . . . ?
C42 P5 C39 C40 -153.74(12) . . . . ?
Ni5 P5 C39 C40 -28.29(13) . . . . ?
C45 P5 C42 C43 -178.60(14) . . . . ?
C39 P5 C42 C43 72.48(15) . . . . ?
Ni5 P5 C42 C43 -47.89(15) . . . . ?
C45 P5 C42 C44 54.37(17) . . . . ?
C39 P5 C42 C44 -54.56(17) . . . . ?
Ni5 P5 C42 C44 -174.93(13) . . . . ?
C42 P5 C45 C46 -177.56(14) . . . . ?
C39 P5 C45 C46 -69.38(15) . . . . ?
Ni5 P5 C45 C46 52.72(16) . . . . ?
C42 P5 C45 C47 59.67(16) . . . . ?
C39 P5 C45 C47 167.85(14) . . . . ?
Ni5 P5 C45 C47 -70.04(15) . . . . ?
