# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_ks4_01m
_database_code_depnum_ccdc_archive 'CCDC 2371929'
loop_
_audit_author_name
_audit_author_address
'Samuel Johnson'
;University of Windsor
Canada
;
_audit_update_record             
;
2024-07-18 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;

_audit_creation_date             2022-10-13T13:58:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         '2(C60 H110 Ni5 P4 Si2), 2(C3.50 H4)'
_chemical_formula_sum            'C127 H228 Ni10 P8 Si4'
_chemical_formula_weight         2702.3
_chemical_compound_source        synthesized

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.835(3)
_cell_length_b                   14.971(3)
_cell_length_c                   19.994(4)
_cell_angle_alpha                86.749(7)
_cell_angle_beta                 73.097(7)
_cell_angle_gamma                69.214(7)
_cell_volume                     3432.0(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    9564
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      26.81
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1446

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.51
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_correction_T_min  0.6722
_exptl_absorpt_correction_T_max  0.7457
_shelx_estimated_absorpt_T_min   0.773
_shelx_estimated_absorpt_T_max   0.805

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0936
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_number            193944
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.642
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_full        27.5
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_reflns_Friedel_coverage         0
_reflns_number_total             15780
_reflns_number_gt                11922
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0434P)²+7.1517P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.0023(3)
_refine_ls_number_reflns         15780
_refine_ls_number_parameters     738
_refine_ls_number_restraints     8
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1206
_refine_ls_wR_factor_gt          0.1129
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.868
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.095

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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'
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'
Si Si 0.0817 0.0704 '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'

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 0.20854(4) 0.46938(3) 0.74477(2) 0.02381(11) Uani 1 1 d . . . . .
Ni2 Ni 0.38923(4) 0.43498(3) 0.78074(2) 0.02494(11) Uani 1 1 d . . . . .
Ni3 Ni 0.44884(4) 0.26808(3) 0.82173(2) 0.02485(11) Uani 1 1 d . . . . .
Ni4 Ni 0.50186(4) 0.14352(3) 0.72797(2) 0.02700(12) Uani 1 1 d . . . . .
Ni5 Ni 0.32763(4) 0.29919(3) 0.74044(2) 0.02150(11) Uani 1 1 d . . . . .
Si1 Si 0.14877(8) 0.35402(7) 0.72625(5) 0.0250(2) Uani 1 1 d . . . . .
Si2 Si 0.36604(9) 0.18370(7) 0.66494(5) 0.0252(2) Uani 1 1 d . . . . .
P1 P 0.08969(8) 0.60881(7) 0.73451(5) 0.0290(2) Uani 1 1 d . . . . .
P2 P 0.51094(9) 0.51065(7) 0.75700(6) 0.0334(2) Uani 1 1 d . . . . .
P3 P 0.39104(9) 0.24484(7) 0.93140(5) 0.0313(2) Uani 1 1 d . . . . .
P4 P 0.67239(9) 0.02950(7) 0.69864(5) 0.0346(2) Uani 1 1 d . . . . .
C1 C 0.0466(3) 0.3173(3) 0.80315(19) 0.0289(8) Uani 1 1 d . . . . .
C2 C -0.0007(3) 0.3720(3) 0.86632(19) 0.0333(8) Uani 1 1 d . . . . .
H2A H 0.015208 0.428876 0.868802 0.04 Uiso 1 1 calc R U . . .
C3 C -0.0700(4) 0.3461(3) 0.9254(2) 0.0422(10) Uani 1 1 d . . . . .
H3A H -0.101694 0.38539 0.967382 0.051 Uiso 1 1 calc R U . . .
C4 C -0.0927(4) 0.2629(4) 0.9231(2) 0.0466(11) Uani 1 1 d . . . . .
H4A H -0.140106 0.244735 0.963431 0.056 Uiso 1 1 calc R U . . .
C5 C -0.0465(4) 0.2065(4) 0.8620(2) 0.0484(11) Uani 1 1 d . . . . .
H5A H -0.061222 0.148936 0.860403 0.058 Uiso 1 1 calc R U . . .
C6 C 0.0216(4) 0.2336(3) 0.8029(2) 0.0351(9) Uani 1 1 d . . . . .
H6A H 0.052088 0.194304 0.761007 0.042 Uiso 1 1 calc R U . . .
C7 C 0.0979(3) 0.3459(3) 0.6475(2) 0.0309(8) Uani 1 1 d . . . . .
C8 C -0.0005(4) 0.3236(4) 0.6515(2) 0.0441(11) Uani 1 1 d . . . . .
H8 H -0.043089 0.309117 0.695503 0.053 Uiso 1 1 calc R U . . .
C9 C -0.0379(5) 0.3218(5) 0.5937(3) 0.0637(16) Uani 1 1 d . . . . .
H9 H -0.105305 0.306461 0.598277 0.076 Uiso 1 1 calc R U . . .
C10 C 0.0228(5) 0.3424(5) 0.5292(3) 0.0726(18) Uani 1 1 d . . . . .
H10 H -0.002045 0.340647 0.48907 0.087 Uiso 1 1 calc R U . . .
C11 C 0.1202(5) 0.3655(5) 0.5235(3) 0.0631(15) Uani 1 1 d . . . . .
H11 H 0.162413 0.379923 0.479357 0.076 Uiso 1 1 calc R U . . .
C12 C 0.1561(4) 0.3677(3) 0.5818(2) 0.0375(9) Uani 1 1 d . . . . .
H12 H 0.222462 0.384546 0.577034 0.045 Uiso 1 1 calc R U . . .
C13 C 0.2793(3) 0.1052(3) 0.6609(2) 0.0330(8) Uani 1 1 d . . . . .
C14 C 0.2227(4) 0.1125(3) 0.6101(2) 0.0419(10) Uani 1 1 d . . . . .
H14 H 0.230007 0.156305 0.574301 0.05 Uiso 1 1 calc R U . . .
C15 C 0.1555(5) 0.0570(4) 0.6108(3) 0.0605(14) Uani 1 1 d . . . . .
H15 H 0.116693 0.063772 0.575926 0.073 Uiso 1 1 calc R U . . .
C16 C 0.1452(5) -0.0074(4) 0.6615(3) 0.0655(16) Uani 1 1 d . . . . .
H16 H 0.098999 -0.044964 0.661994 0.079 Uiso 1 1 calc R U . . .
C17 C 0.2018(5) -0.0174(3) 0.7118(3) 0.0567(13) Uani 1 1 d . . . . .
H17 H 0.196278 -0.063258 0.746199 0.068 Uiso 1 1 calc R U . . .
C18 C 0.2673(4) 0.0392(3) 0.7124(2) 0.0435(10) Uani 1 1 d . . . . .
H18 H 0.304274 0.032972 0.748135 0.052 Uiso 1 1 calc R U . . .
C19 C 0.4377(3) 0.2052(3) 0.57122(19) 0.0277(7) Uani 1 1 d . . . . .
C20 C 0.4911(4) 0.1306(3) 0.5202(2) 0.0376(9) Uani 1 1 d . . . . .
H20 H 0.480939 0.070971 0.530753 0.045 Uiso 1 1 calc R U . . .
C21 C 0.5588(4) 0.1412(4) 0.4545(2) 0.0496(12) Uani 1 1 d . . . . .
H21 H 0.595277 0.088918 0.420808 0.06 Uiso 1 1 calc R U . . .
C22 C 0.5734(4) 0.2274(4) 0.4378(2) 0.0515(12) Uani 1 1 d . . . . .
H22 H 0.619687 0.234879 0.392746 0.062 Uiso 1 1 calc R U . . .
C23 C 0.5201(4) 0.3026(3) 0.4871(2) 0.0448(10) Uani 1 1 d . . . . .
H23 H 0.528966 0.36249 0.475792 0.054 Uiso 1 1 calc R U . . .
C24 C 0.4540(3) 0.2916(3) 0.5530(2) 0.0339(8) Uani 1 1 d . . . . .
H24 H 0.418842 0.343943 0.586617 0.041 Uiso 1 1 calc R U . . .
C25 C 0.1625(4) 0.6637(3) 0.6577(2) 0.0403(9) Uani 1 1 d . . . . .
H25 H 0.221452 0.680561 0.672587 0.048 Uiso 1 1 calc R U . . .
C26 C 0.0885(5) 0.7561(4) 0.6330(3) 0.0661(16) Uani 1 1 d . . . . .
H26A H 0.139074 0.78168 0.59695 0.099 Uiso 1 1 calc R U . . .
H26B H 0.045601 0.802921 0.672689 0.099 Uiso 1 1 calc R U . . .
H26C H 0.033351 0.743002 0.613454 0.099 Uiso 1 1 calc R U . . .
C27 C 0.2319(4) 0.5910(3) 0.5970(2) 0.0516(12) Uani 1 1 d . . . . .
H27A H 0.178725 0.5713 0.579884 0.077 Uiso 1 1 calc R U . . .
H27B H 0.285707 0.535065 0.612604 0.077 Uiso 1 1 calc R U . . .
H27C H 0.276163 0.619486 0.55931 0.077 Uiso 1 1 calc R U . . .
C28 C 0.0719(4) 0.6887(3) 0.8095(2) 0.0481(11) Uani 1 1 d . . . . .
H28 H 0.146007 0.701928 0.798705 0.058 Uiso 1 1 calc R U . . .
C29 C -0.0260(7) 0.7867(4) 0.8209(4) 0.099(3) Uani 1 1 d . . . . .
H29A H -0.100396 0.77818 0.827091 0.148 Uiso 1 1 calc R U . . .
H29B H -0.010613 0.824714 0.78014 0.148 Uiso 1 1 calc R U . . .
H29C H -0.029487 0.819942 0.862794 0.148 Uiso 1 1 calc R U . . .
C30 C 0.0632(5) 0.6364(4) 0.8775(2) 0.0606(14) Uani 1 1 d . . . . .
H30A H 0.061312 0.677252 0.914747 0.091 Uiso 1 1 calc R U . . .
H30B H 0.130854 0.576994 0.870914 0.091 Uiso 1 1 calc R U . . .
H30C H -0.008201 0.621233 0.890563 0.091 Uiso 1 1 calc R U . . .
C31 C -0.0621(3) 0.6406(3) 0.7302(2) 0.0401(10) Uani 1 1 d . . . . .
H31 H -0.097118 0.711874 0.730145 0.048 Uiso 1 1 calc R U . . .
C32 C -0.1365(4) 0.6073(5) 0.7942(3) 0.0689(16) Uani 1 1 d . . . . .
H32A H -0.217468 0.630113 0.792819 0.103 Uiso 1 1 calc R U . . .
H32B H -0.132905 0.633299 0.83703 0.103 Uiso 1 1 calc R U . . .
H32C H -0.106758 0.537262 0.793671 0.103 Uiso 1 1 calc R U . . .
C33 C -0.0670(4) 0.5988(4) 0.6642(3) 0.0526(12) Uani 1 1 d . . . . .
H33A H -0.047235 0.529479 0.667299 0.079 Uiso 1 1 calc R U . . .
H33B H -0.011243 0.612147 0.623446 0.079 Uiso 1 1 calc R U . . .
H33C H -0.145742 0.627822 0.659318 0.079 Uiso 1 1 calc R U . . .
C34A C 0.4629(6) 0.6320(4) 0.7996(3) 0.0423(14) Uani 0.824(9) 1 d D . P A 1
H34A H 0.533807 0.643164 0.802465 0.051 Uiso 0.824(9) 1 calc R U P A 1
C35A C 0.4001(5) 0.7124(4) 0.7594(3) 0.0509(17) Uani 0.824(9) 1 d D . P A 1
H35A H 0.330675 0.702527 0.755256 0.076 Uiso 0.824(9) 1 calc R U P A 1
H35B H 0.452292 0.712394 0.712591 0.076 Uiso 0.824(9) 1 calc R U P A 1
H35C H 0.377002 0.773859 0.784548 0.076 Uiso 0.824(9) 1 calc R U P A 1
C36A C 0.3844(7) 0.6360(6) 0.8742(3) 0.060(2) Uani 0.824(9) 1 d D . P A 1
H36A H 0.363465 0.698612 0.897137 0.09 Uiso 0.824(9) 1 calc R U P A 1
H36B H 0.425846 0.585704 0.900554 0.09 Uiso 0.824(9) 1 calc R U P A 1
H36C H 0.313509 0.626119 0.872796 0.09 Uiso 0.824(9) 1 calc R U P A 1
C34B C 0.414(3) 0.642(2) 0.7906(14) 0.0423(14) Uani 0.176(9) 1 d D . P A 2
H34B H 0.359576 0.667547 0.76113 0.051 Uiso 0.176(9) 1 calc R U P A 2
C35B C 0.486(3) 0.705(3) 0.782(2) 0.095(15) Uani 0.176(9) 1 d D . P A 2
H35D H 0.438025 0.766766 0.807847 0.142 Uiso 0.176(9) 1 calc R U P A 2
H35E H 0.513236 0.716662 0.731943 0.142 Uiso 0.176(9) 1 calc R U P A 2
H35F H 0.552803 0.673875 0.799473 0.142 Uiso 0.176(9) 1 calc R U P A 2
C36B C 0.339(3) 0.645(3) 0.8661(15) 0.060(2) Uani 0.176(9) 1 d D . P A 2
H36D H 0.390276 0.618788 0.896218 0.09 Uiso 0.176(9) 1 calc R U P A 2
H36E H 0.290962 0.606078 0.868553 0.09 Uiso 0.176(9) 1 calc R U P A 2
H36F H 0.289405 0.710953 0.882057 0.09 Uiso 0.176(9) 1 calc R U P A 2
C37 C 0.5525(4) 0.5307(3) 0.6622(2) 0.0416(10) Uani 1 1 d . . . . .
H37 H 0.482924 0.581754 0.653673 0.05 Uiso 1 1 calc R U . . .
C38 C 0.6537(4) 0.5674(4) 0.6350(3) 0.0602(14) Uani 1 1 d . . . . .
H38A H 0.727248 0.51518 0.632725 0.09 Uiso 1 1 calc R U . . .
H38B H 0.643361 0.619513 0.666661 0.09 Uiso 1 1 calc R U . . .
H38C H 0.655196 0.591106 0.588123 0.09 Uiso 1 1 calc R U . . .
C39 C 0.5730(5) 0.4426(4) 0.6188(3) 0.0577(13) Uani 1 1 d . . . . .
H39A H 0.5723 0.46024 0.570903 0.086 Uiso 1 1 calc R U . . .
H39B H 0.511308 0.416602 0.639575 0.086 Uiso 1 1 calc R U . . .
H39C H 0.64869 0.394136 0.617811 0.086 Uiso 1 1 calc R U . . .
C40 C 0.6516(4) 0.4543(4) 0.7774(3) 0.0572(14) Uani 1 1 d . . . . .
H40 H 0.705354 0.48746 0.751153 0.069 Uiso 1 1 calc R U . . .
C41 C 0.6428(6) 0.4612(5) 0.8535(3) 0.0812(19) Uani 1 1 d . . . . .
H41A H 0.583721 0.43578 0.881026 0.122 Uiso 1 1 calc R U . . .
H41B H 0.620616 0.528261 0.868343 0.122 Uiso 1 1 calc R U . . .
H41C H 0.718258 0.42391 0.860801 0.122 Uiso 1 1 calc R U . . .
C42 C 0.7064(4) 0.3498(4) 0.7522(3) 0.0663(16) Uani 1 1 d . . . . .
H42A H 0.778098 0.320038 0.765806 0.1 Uiso 1 1 calc R U . . .
H42B H 0.724666 0.344924 0.70113 0.1 Uiso 1 1 calc R U . . .
H42C H 0.651801 0.316997 0.773409 0.1 Uiso 1 1 calc R U . . .
C43 C 0.2880(4) 0.3506(3) 0.9906(2) 0.0448(11) Uani 1 1 d . . . . .
H43 H 0.268685 0.32896 1.039411 0.054 Uiso 1 1 calc R U . . .
C44 C 0.1757(4) 0.3945(4) 0.9703(2) 0.0518(12) Uani 1 1 d . . . . .
H44A H 0.122455 0.448956 1.002778 0.078 Uiso 1 1 calc R U . . .
H44B H 0.139299 0.346438 0.97256 0.078 Uiso 1 1 calc R U . . .
H44C H 0.193068 0.416289 0.922581 0.078 Uiso 1 1 calc R U . . .
C45 C 0.3424(5) 0.4272(4) 0.9893(3) 0.0643(15) Uani 1 1 d . . . . .
H45A H 0.361062 0.449636 0.941834 0.096 Uiso 1 1 calc R U . . .
H45B H 0.413764 0.39965 1.00354 0.096 Uiso 1 1 calc R U . . .
H45C H 0.287073 0.481038 1.021732 0.096 Uiso 1 1 calc R U . . .
C46 C 0.5101(4) 0.1910(3) 0.9732(2) 0.0436(10) Uani 1 1 d . . . . .
H46 H 0.54317 0.121202 0.959229 0.052 Uiso 1 1 calc R U . . .
C47 C 0.6094(4) 0.2279(4) 0.9452(3) 0.0560(13) Uani 1 1 d . . . . .
H47A H 0.584836 0.294075 0.962957 0.084 Uiso 1 1 calc R U . . .
H47B H 0.631358 0.225514 0.893936 0.084 Uiso 1 1 calc R U . . .
H47C H 0.676441 0.187899 0.960607 0.084 Uiso 1 1 calc R U . . .
C48 C 0.4695(5) 0.1978(4) 1.0541(2) 0.0650(15) Uani 1 1 d . . . . .
H48A H 0.534774 0.159992 1.071771 0.098 Uiso 1 1 calc R U . . .
H48B H 0.405921 0.172943 1.070932 0.098 Uiso 1 1 calc R U . . .
H48C H 0.442214 0.264797 1.070749 0.098 Uiso 1 1 calc R U . . .
C49A C 0.3012(7) 0.1661(5) 0.9533(4) 0.0408(16) Uani 0.735(10) 1 d D . P B 1
H49 H 0.245047 0.18726 1.000907 0.049 Uiso 0.735(10) 1 calc R U P B 1
C50A C 0.2323(7) 0.1748(6) 0.9027(4) 0.0496(18) Uani 0.735(10) 1 d D . P B 1
H50A H 0.284916 0.144034 0.857394 0.074 Uiso 0.735(10) 1 calc R U P B 1
H50B H 0.191902 0.242625 0.896906 0.074 Uiso 0.735(10) 1 calc R U P B 1
H50C H 0.175053 0.143567 0.920772 0.074 Uiso 0.735(10) 1 calc R U P B 1
C51A C 0.3772(8) 0.0607(5) 0.9552(6) 0.080(3) Uani 0.735(10) 1 d D . P B 1
H51A H 0.327332 0.022131 0.969161 0.119 Uiso 0.735(10) 1 calc R U P B 1
H51B H 0.420953 0.054969 0.988989 0.119 Uiso 0.735(10) 1 calc R U P B 1
H51C H 0.431612 0.037839 0.908614 0.119 Uiso 0.735(10) 1 calc R U P B 1
C49B C 0.3415(17) 0.1393(18) 0.9397(9) 0.0408(16) Uani 0.265(10) 1 d D . P B 2
H49B H 0.41362 0.080949 0.926222 0.049 Uiso 0.265(10) 1 calc R U P B 2
C50B C 0.273(2) 0.1398(18) 0.8904(11) 0.0496(18) Uani 0.265(10) 1 d D . P B 2
H50D H 0.316029 0.1487 0.842796 0.074 Uiso 0.265(10) 1 calc R U P B 2
H50E H 0.260403 0.078837 0.891463 0.074 Uiso 0.265(10) 1 calc R U P B 2
H50F H 0.19754 0.192323 0.904629 0.074 Uiso 0.265(10) 1 calc R U P B 2
C51B C 0.271(2) 0.1253(19) 1.0141(8) 0.086(10) Uani 0.265(10) 1 d D . P B 2
H51D H 0.314749 0.124696 1.047212 0.129 Uiso 0.265(10) 1 calc R U P B 2
H51E H 0.195941 0.177812 1.027662 0.129 Uiso 0.265(10) 1 calc R U P B 2
H51F H 0.258804 0.064326 1.014496 0.129 Uiso 0.265(10) 1 calc R U P B 2
C52 C 0.7793(4) 0.0113(4) 0.7482(3) 0.0573(14) Uani 1 1 d . . . . .
H52 H 0.850504 -0.044359 0.725148 0.069 Uiso 1 1 calc R U . . .
C53 C 0.8146(5) 0.0968(5) 0.7476(4) 0.087(2) Uani 1 1 d . . . . .
H53A H 0.744867 0.154564 0.761785 0.13 Uiso 1 1 calc R U . . .
H53B H 0.861289 0.102876 0.700325 0.13 Uiso 1 1 calc R U . . .
H53C H 0.860818 0.088828 0.780342 0.13 Uiso 1 1 calc R U . . .
C54 C 0.7299(5) -0.0136(5) 0.8245(3) 0.084(2) Uani 1 1 d . . . . .
H54A H 0.779947 -0.010464 0.852478 0.126 Uiso 1 1 calc R U . . .
H54B H 0.727552 -0.078316 0.824622 0.126 Uiso 1 1 calc R U . . .
H54C H 0.650982 0.032329 0.844662 0.126 Uiso 1 1 calc R U . . .
C55 C 0.7500(4) 0.0456(3) 0.6073(2) 0.0461(11) Uani 1 1 d . . . . .
H55 H 0.709009 0.028138 0.577455 0.055 Uiso 1 1 calc R U . . .
C56 C 0.7378(5) 0.1498(4) 0.5927(3) 0.0680(16) Uani 1 1 d . . . . .
H56A H 0.779241 0.170702 0.619148 0.102 Uiso 1 1 calc R U . . .
H56B H 0.65517 0.190309 0.60718 0.102 Uiso 1 1 calc R U . . .
H56C H 0.771023 0.155091 0.542587 0.102 Uiso 1 1 calc R U . . .
C57 C 0.8781(4) -0.0236(5) 0.5815(3) 0.0665(16) Uani 1 1 d . . . . .
H57A H 0.90952 -0.017509 0.531296 0.1 Uiso 1 1 calc R U . . .
H57B H 0.881372 -0.089536 0.590093 0.1 Uiso 1 1 calc R U . . .
H57C H 0.924505 -0.007617 0.606937 0.1 Uiso 1 1 calc R U . . .
C58 C 0.6709(5) -0.0949(3) 0.6948(3) 0.0591(14) Uani 1 1 d . . . . .
H58 H 0.747289 -0.140491 0.698935 0.071 Uiso 1 1 calc R U . . .
C59 C 0.6551(6) -0.1222(4) 0.6274(4) 0.082(2) Uani 1 1 d . . . . .
H59A H 0.652303 -0.186895 0.629796 0.123 Uiso 1 1 calc R U . . .
H59B H 0.720597 -0.120412 0.58777 0.123 Uiso 1 1 calc R U . . .
H59C H 0.582242 -0.076859 0.620989 0.123 Uiso 1 1 calc R U . . .
C60 C 0.5744(6) -0.1082(4) 0.7569(4) 0.092(2) Uani 1 1 d . . . . .
H60A H 0.498124 -0.07072 0.750734 0.138 Uiso 1 1 calc R U . . .
H60B H 0.58017 -0.086357 0.800487 0.138 Uiso 1 1 calc R U . . .
H60C H 0.583428 -0.176032 0.758927 0.138 Uiso 1 1 calc R U . . .
C61 C -0.0436(17) 1.019(2) 1.0242(11) 0.182(4) Uani 0.5 1 d DG . P C -1
C62 C -0.0479(18) 0.9872(18) 0.9615(12) 0.182(4) Uani 0.5 1 d DG . P C -1
H62 H -0.120923 0.998594 0.953629 0.219 Uiso 0.5 1 calc R U P C -1
C63 C 0.055(2) 0.9384(15) 0.9104(10) 0.182(4) Uani 0.5 1 d G . P C -1
H63 H 0.051783 0.916529 0.867505 0.219 Uiso 0.5 1 calc R U P C -1
C64 C 0.1616(18) 0.9218(17) 0.9219(11) 0.182(4) Uani 0.5 1 d G . P C -1
H64 H 0.231736 0.888452 0.886917 0.219 Uiso 0.5 1 calc R U P C -1
C65 C 0.1659(17) 0.9538(15) 0.9846(12) 0.182(4) Uani 0.5 1 d G . P C -1
H65 H 0.238987 0.942437 0.992453 0.219 Uiso 0.5 1 calc R U P C -1
C66 C 0.0633(19) 1.0026(17) 1.0357(10) 0.182(4) Uani 0.5 1 d DG . P C -1
H66 H 0.066282 1.024501 1.078579 0.219 Uiso 0.5 1 calc R U P C -1
C67 C -0.150(2) 1.077(2) 1.0818(14) 0.182(4) Uani 0.5 1 d D . P C -1
H67A H -0.125653 1.091159 1.120754 0.274 Uiso 0.25 1 calc R U P C -1
H67B H -0.192008 1.136559 1.063584 0.274 Uiso 0.25 1 calc R U P C -1
H67C H -0.201052 1.039541 1.0982 0.274 Uiso 0.25 1 calc R U P C -1
H67D H -0.220155 1.087014 1.067605 0.274 Uiso 0.25 1 calc R U P C -1
H67E H -0.153801 1.041613 1.124775 0.274 Uiso 0.25 1 calc R U P C -1
H67F H -0.144757 1.138632 1.090159 0.274 Uiso 0.25 1 calc R U P C -1
H1 H 0.488(4) 0.089(3) 0.671(2) 0.042(12) Uiso 1 1 d . . . . .
H2 H 0.503(4) 0.164(4) 0.805(3) 0.064(15) Uiso 1 1 d . . . . .
H3 H 0.445(3) 0.370(3) 0.831(2) 0.029(10) Uiso 1 1 d . . . . .
H4 H 0.297(4) 0.528(3) 0.749(3) 0.061(15) Uiso 1 1 d . . . . .
H5 H 0.464(3) 0.271(3) 0.742(2) 0.029(10) Uiso 1 1 d . . . . .
H6 H 0.293(4) 0.396(3) 0.792(3) 0.060(15) Uiso 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 2.1446(11) . ?
Ni1 Si1 2.2107(11) . ?
Ni1 Ni5 2.4535(7) . ?
Ni1 Ni2 2.4981(8) . ?
Ni1 H4 1.69(5) . ?
Ni1 H6 1.70(5) . ?
Ni2 P2 2.1710(11) . ?
Ni2 Ni3 2.5052(8) . ?
Ni2 Ni5 2.6654(7) . ?
Ni2 H3 1.52(4) . ?
Ni2 H4 1.70(5) . ?
Ni2 H6 1.50(5) . ?
Ni3 P3 2.1517(11) . ?
Ni3 Ni5 2.4799(7) . ?
Ni3 Ni4 2.4918(7) . ?
Ni3 H2 1.47(5) . ?
Ni3 H3 1.52(4) . ?
Ni3 H5 1.55(4) . ?
Ni4 P4 2.1826(11) . ?
Ni4 Si2 2.3316(11) . ?
Ni4 Ni5 2.5567(7) . ?
Ni4 H1 1.51(4) . ?
Ni4 H2 1.59(5) . ?
Ni4 H5 1.81(4) . ?
Ni5 Si2 2.1839(11) . ?
Ni5 Si1 2.2448(11) . ?
Ni5 H5 1.65(4) . ?
Ni5 H6 1.68(5) . ?
Si1 C7 1.896(4) . ?
Si1 C1 1.905(4) . ?
Si2 C19 1.897(4) . ?
Si2 C13 1.902(4) . ?
Si2 H1 1.73(4) . ?
P1 C31 1.861(4) . ?
P1 C25 1.865(4) . ?
P1 C28 1.881(5) . ?
P2 C37 1.851(4) . ?
P2 C40 1.856(5) . ?
P2 C34A 1.865(5) . ?
P2 C34B 1.95(3) . ?
P3 C43 1.863(4) . ?
P3 C46 1.863(4) . ?
P3 C49A 1.877(8) . ?
P3 C49B 1.88(2) . ?
P4 C52 1.853(5) . ?
P4 C55 1.857(5) . ?
P4 C58 1.876(5) . ?
C1 C2 1.398(5) . ?
C1 C6 1.400(5) . ?
C2 C3 1.385(6) . ?
C2 H2A 0.95 . ?
C3 C4 1.383(6) . ?
C3 H3A 0.95 . ?
C4 C5 1.377(6) . ?
C4 H4A 0.95 . ?
C5 C6 1.386(6) . ?
C5 H5A 0.95 . ?
C6 H6A 0.95 . ?
C7 C12 1.395(6) . ?
C7 C8 1.397(5) . ?
C8 C9 1.379(6) . ?
C8 H8 0.95 . ?
C9 C10 1.381(7) . ?
C9 H9 0.95 . ?
C10 C11 1.385(7) . ?
C10 H10 0.95 . ?
C11 C12 1.377(6) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.389(6) . ?
C13 C18 1.400(6) . ?
C14 C15 1.391(6) . ?
C14 H14 0.95 . ?
C15 C16 1.370(8) . ?
C15 H15 0.95 . ?
C16 C17 1.374(8) . ?
C16 H16 0.95 . ?
C17 C18 1.392(6) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 C20 1.391(5) . ?
C19 C24 1.394(5) . ?
C20 C21 1.385(6) . ?
C20 H20 0.95 . ?
C21 C22 1.377(7) . ?
C21 H21 0.95 . ?
C22 C23 1.376(7) . ?
C22 H22 0.95 . ?
C23 C24 1.381(6) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C27 1.510(6) . ?
C25 C26 1.523(6) . ?
C25 H25 1 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C28 C30 1.527(7) . ?
C28 C29 1.532(6) . ?
C28 H28 1 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 C33 1.518(6) . ?
C31 C32 1.534(7) . ?
C31 H31 1 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34A C35A 1.523(8) . ?
C34A C36A 1.530(8) . ?
C34A H34A 1 . ?
C35A H35A 0.98 . ?
C35A H35B 0.98 . ?
C35A H35C 0.98 . ?
C36A H36A 0.98 . ?
C36A H36B 0.98 . ?
C36A H36C 0.98 . ?
C34B C35B 1.509(18) . ?
C34B C36B 1.530(19) . ?
C34B H34B 1 . ?
C35B H35D 0.98 . ?
C35B H35E 0.98 . ?
C35B H35F 0.98 . ?
C36B H36D 0.98 . ?
C36B H36E 0.98 . ?
C36B H36F 0.98 . ?
C37 C39 1.522(6) . ?
C37 C38 1.532(6) . ?
C37 H37 1 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 C41 1.499(8) . ?
C40 C42 1.515(8) . ?
C40 H40 1 . ?
C41 H41A 0.98 . ?
C41 H41B 0.98 . ?
C41 H41C 0.98 . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 C44 1.519(6) . ?
C43 C45 1.536(7) . ?
C43 H43 1 . ?
C44 H44A 0.98 . ?
C44 H44B 0.98 . ?
C44 H44C 0.98 . ?
C45 H45A 0.98 . ?
C45 H45B 0.98 . ?
C45 H45C 0.98 . ?
C46 C47 1.515(7) . ?
C46 C48 1.545(6) . ?
C46 H46 1 . ?
C47 H47A 0.98 . ?
C47 H47B 0.98 . ?
C47 H47C 0.98 . ?
C48 H48A 0.98 . ?
C48 H48B 0.98 . ?
C48 H48C 0.98 . ?
C49A C50A 1.497(8) . ?
C49A C51A 1.538(9) . ?
C49A H49 1 . ?
C50A H50A 0.98 . ?
C50A H50B 0.98 . ?
C50A H50C 0.98 . ?
C51A H51A 0.98 . ?
C51A H51B 0.98 . ?
C51A H51C 0.98 . ?
C49B C50B 1.499(17) . ?
C49B C51B 1.545(16) . ?
C49B H49B 1 . ?
C50B H50D 0.98 . ?
C50B H50E 0.98 . ?
C50B H50F 0.98 . ?
C51B H51D 0.98 . ?
C51B H51E 0.98 . ?
C51B H51F 0.98 . ?
C52 C53 1.501(9) . ?
C52 C54 1.552(8) . ?
C52 H52 1 . ?
C53 H53A 0.98 . ?
C53 H53B 0.98 . ?
C53 H53C 0.98 . ?
C54 H54A 0.98 . ?
C54 H54B 0.98 . ?
C54 H54C 0.98 . ?
C55 C56 1.531(7) . ?
C55 C57 1.550(6) . ?
C55 H55 1 . ?
C56 H56A 0.98 . ?
C56 H56B 0.98 . ?
C56 H56C 0.98 . ?
C57 H57A 0.98 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
C58 C59 1.518(8) . ?
C58 C60 1.538(8) . ?
C58 H58 1 . ?
C59 H59A 0.98 . ?
C59 H59B 0.98 . ?
C59 H59C 0.98 . ?
C60 H60A 0.98 . ?
C60 H60B 0.98 . ?
C60 H60C 0.98 . ?
C61 C62 1.39 . ?
C61 C66 1.39 . ?
C61 C67 1.514(10) . ?
C62 C63 1.39 . ?
C62 H62 0.95 . ?
C63 C64 1.39 . ?
C63 H63 0.95 . ?
C64 C65 1.39 . ?
C64 H64 0.95 . ?
C65 C66 1.39 . ?
C65 H65 0.95 . ?
C66 H66 0.95 . ?
C67 H67A 0.98 . ?
C67 H67B 0.98 . ?
C67 H67C 0.98 . ?
C67 H67D 0.98 . ?
C67 H67E 0.98 . ?
C67 H67F 0.98 . ?

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 112.39(4) . . ?
P1 Ni1 Ni5 168.38(4) . . ?
Si1 Ni1 Ni5 57.25(3) . . ?
P1 Ni1 Ni2 125.74(4) . . ?
Si1 Ni1 Ni2 121.76(3) . . ?
Ni5 Ni1 Ni2 65.13(2) . . ?
P1 Ni1 H4 84.7(17) . . ?
Si1 Ni1 H4 161.0(17) . . ?
Ni5 Ni1 H4 104.9(17) . . ?
Ni2 Ni1 H4 42.7(17) . . ?
P1 Ni1 H6 148.0(16) . . ?
Si1 Ni1 H6 90.7(16) . . ?
Ni5 Ni1 H6 43.0(16) . . ?
Ni2 Ni1 H6 36.0(16) . . ?
H4 Ni1 H6 77(2) . . ?
P2 Ni2 Ni1 128.98(4) . . ?
P2 Ni2 Ni3 119.95(4) . . ?
Ni1 Ni2 Ni3 109.04(2) . . ?
P2 Ni2 Ni5 147.03(4) . . ?
Ni1 Ni2 Ni5 56.629(18) . . ?
Ni3 Ni2 Ni5 57.22(2) . . ?
P2 Ni2 H3 94.9(14) . . ?
Ni1 Ni2 H3 135.6(14) . . ?
Ni3 Ni2 H3 34.6(14) . . ?
Ni5 Ni2 H3 91.4(14) . . ?
P2 Ni2 H4 87.9(16) . . ?
Ni1 Ni2 H4 42.4(16) . . ?
Ni3 Ni2 H4 151.5(16) . . ?
Ni5 Ni2 H4 96.4(16) . . ?
H3 Ni2 H4 161(2) . . ?
P2 Ni2 H6 170.4(19) . . ?
Ni1 Ni2 H6 41.6(19) . . ?
Ni3 Ni2 H6 69.5(19) . . ?
Ni5 Ni2 H6 35.1(18) . . ?
H3 Ni2 H6 94(2) . . ?
H4 Ni2 H6 83(2) . . ?
P3 Ni3 Ni5 124.91(4) . . ?
P3 Ni3 Ni4 122.95(4) . . ?
Ni5 Ni3 Ni4 61.90(2) . . ?
P3 Ni3 Ni2 119.40(4) . . ?
Ni5 Ni3 Ni2 64.641(19) . . ?
Ni4 Ni3 Ni2 113.19(3) . . ?
P3 Ni3 H2 91(2) . . ?
Ni5 Ni3 H2 95(2) . . ?
Ni4 Ni3 H2 37(2) . . ?
Ni2 Ni3 H2 149(2) . . ?
P3 Ni3 H3 96.2(14) . . ?
Ni5 Ni3 H3 98.6(14) . . ?
Ni4 Ni3 H3 140.9(14) . . ?
Ni2 Ni3 H3 34.4(14) . . ?
H2 Ni3 H3 157(2) . . ?
P3 Ni3 H5 162.8(14) . . ?
Ni5 Ni3 H5 40.8(14) . . ?
Ni4 Ni3 H5 46.4(14) . . ?
Ni2 Ni3 H5 67.1(14) . . ?
H2 Ni3 H5 82(2) . . ?
H3 Ni3 H5 96.0(19) . . ?
P4 Ni4 Si2 125.88(4) . . ?
P4 Ni4 Ni3 121.55(4) . . ?
Si2 Ni4 Ni3 111.44(3) . . ?
P4 Ni4 Ni5 166.04(4) . . ?
Si2 Ni4 Ni5 52.83(3) . . ?
Ni3 Ni4 Ni5 58.82(2) . . ?
P4 Ni4 H1 79.8(16) . . ?
Si2 Ni4 H1 47.9(16) . . ?
Ni3 Ni4 H1 158.7(16) . . ?
Ni5 Ni4 H1 100.7(16) . . ?
P4 Ni4 H2 95.9(18) . . ?
Si2 Ni4 H2 137.1(18) . . ?
Ni3 Ni4 H2 34.0(18) . . ?
Ni5 Ni4 H2 89.3(18) . . ?
H1 Ni4 H2 156(2) . . ?
P4 Ni4 H5 130.1(12) . . ?
Si2 Ni4 H5 86.2(12) . . ?
Ni3 Ni4 H5 38.3(12) . . ?
Ni5 Ni4 H5 40.1(12) . . ?
H1 Ni4 H5 130(2) . . ?
H2 Ni4 H5 71(2) . . ?
Si2 Ni5 Si1 85.86(4) . . ?
Si2 Ni5 Ni1 130.08(4) . . ?
Si1 Ni5 Ni1 55.92(3) . . ?
Si2 Ni5 Ni3 117.34(3) . . ?
Si1 Ni5 Ni3 147.83(3) . . ?
Ni1 Ni5 Ni3 111.35(2) . . ?
Si2 Ni5 Ni4 58.29(3) . . ?
Si1 Ni5 Ni4 140.33(3) . . ?
Ni1 Ni5 Ni4 162.18(2) . . ?
Ni3 Ni5 Ni4 59.28(2) . . ?
Si2 Ni5 Ni2 148.36(3) . . ?
Si1 Ni5 Ni2 113.64(3) . . ?
Ni1 Ni5 Ni2 58.24(2) . . ?
Ni3 Ni5 Ni2 58.139(19) . . ?
Ni4 Ni5 Ni2 106.01(3) . . ?
Si2 Ni5 H5 95.3(13) . . ?
Si1 Ni5 H5 171.1(13) . . ?
Ni1 Ni5 H5 117.9(13) . . ?
Ni3 Ni5 H5 37.8(13) . . ?
Ni4 Ni5 H5 44.9(13) . . ?
Ni2 Ni5 H5 61.6(13) . . ?
Si2 Ni5 H6 173.6(17) . . ?
Si1 Ni5 H6 90.1(17) . . ?
Ni1 Ni5 H6 43.7(17) . . ?
Ni3 Ni5 H6 68.4(17) . . ?
Ni4 Ni5 H6 127.0(17) . . ?
Ni2 Ni5 H6 31.0(17) . . ?
H5 Ni5 H6 88(2) . . ?
C7 Si1 C1 105.53(17) . . ?
C7 Si1 Ni1 123.39(13) . . ?
C1 Si1 Ni1 118.33(12) . . ?
C7 Si1 Ni5 130.91(12) . . ?
C1 Si1 Ni5 108.40(12) . . ?
Ni1 Si1 Ni5 66.82(3) . . ?
C19 Si2 C13 106.95(17) . . ?
C19 Si2 Ni5 114.26(12) . . ?
C13 Si2 Ni5 129.95(12) . . ?
C19 Si2 Ni4 109.48(12) . . ?
C13 Si2 Ni4 122.06(14) . . ?
Ni5 Si2 Ni4 68.88(3) . . ?
C19 Si2 H1 93.5(14) . . ?
C13 Si2 H1 94.8(14) . . ?
Ni5 Si2 H1 109.3(14) . . ?
Ni4 Si2 H1 40.4(14) . . ?
C31 P1 C25 105.1(2) . . ?
C31 P1 C28 103.0(2) . . ?
C25 P1 C28 102.0(2) . . ?
C31 P1 Ni1 127.34(15) . . ?
C25 P1 Ni1 108.76(14) . . ?
C28 P1 Ni1 107.80(14) . . ?
C37 P2 C40 104.6(2) . . ?
C37 P2 C34A 103.9(2) . . ?
C40 P2 C34A 99.6(3) . . ?
C37 P2 C34B 98.1(8) . . ?
C40 P2 C34B 119.5(8) . . ?
C37 P2 Ni2 110.22(14) . . ?
C40 P2 Ni2 118.37(17) . . ?
C34A P2 Ni2 118.4(2) . . ?
C34B P2 Ni2 104.1(7) . . ?
C43 P3 C46 104.1(2) . . ?
C43 P3 C49A 98.6(3) . . ?
C46 P3 C49A 105.2(3) . . ?
C43 P3 C49B 114.4(6) . . ?
C46 P3 C49B 96.5(7) . . ?
C43 P3 Ni3 117.42(15) . . ?
C46 P3 Ni3 114.76(14) . . ?
C49A P3 Ni3 114.8(2) . . ?
C49B P3 Ni3 107.8(6) . . ?
C52 P4 C55 104.9(2) . . ?
C52 P4 C58 100.6(2) . . ?
C55 P4 C58 103.4(2) . . ?
C52 P4 Ni4 122.18(15) . . ?
C55 P4 Ni4 108.13(14) . . ?
C58 P4 Ni4 115.63(18) . . ?
C2 C1 C6 116.4(4) . . ?
C2 C1 Si1 119.3(3) . . ?
C6 C1 Si1 124.2(3) . . ?
C3 C2 C1 122.2(4) . . ?
C3 C2 H2A 118.9 . . ?
C1 C2 H2A 118.9 . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
C4 C5 C6 120.1(4) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
C5 C6 C1 121.9(4) . . ?
C5 C6 H6A 119.1 . . ?
C1 C6 H6A 119.1 . . ?
C12 C7 C8 116.3(4) . . ?
C12 C7 Si1 120.0(3) . . ?
C8 C7 Si1 123.6(3) . . ?
C9 C8 C7 122.2(4) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
C8 C9 C10 119.9(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 119.4(4) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.1(5) . . ?
C12 C11 H11 120 . . ?
C10 C11 H11 120 . . ?
C11 C12 C7 122.1(4) . . ?
C11 C12 H12 119 . . ?
C7 C12 H12 119 . . ?
C14 C13 C18 117.6(4) . . ?
C14 C13 Si2 122.8(3) . . ?
C18 C13 Si2 119.5(3) . . ?
C13 C14 C15 121.2(5) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C16 C15 C14 120.2(5) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 119.9(4) . . ?
C15 C16 H16 120 . . ?
C17 C16 H16 120 . . ?
C16 C17 C18 120.3(5) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 120.7(5) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C20 C19 C24 117.1(4) . . ?
C20 C19 Si2 120.8(3) . . ?
C24 C19 Si2 121.5(3) . . ?
C21 C20 C19 121.5(4) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C20 120.2(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 119.3(4) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 120.5(4) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 121.4(4) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
C27 C25 C26 110.5(4) . . ?
C27 C25 P1 111.0(3) . . ?
C26 C25 P1 118.0(3) . . ?
C27 C25 H25 105.4 . . ?
C26 C25 H25 105.4 . . ?
P1 C25 H25 105.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C28 C29 110.2(5) . . ?
C30 C28 P1 111.0(3) . . ?
C29 C28 P1 117.0(4) . . ?
C30 C28 H28 105.9 . . ?
C29 C28 H28 105.9 . . ?
P1 C28 H28 105.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C32 109.0(4) . . ?
C33 C31 P1 112.4(3) . . ?
C32 C31 P1 111.2(3) . . ?
C33 C31 H31 108 . . ?
C32 C31 H31 108 . . ?
P1 C31 H31 108 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35A C34A C36A 109.5(5) . . ?
C35A C34A P2 113.6(4) . . ?
C36A C34A P2 110.0(4) . . ?
C35A C34A H34A 107.8 . . ?
C36A C34A H34A 107.8 . . ?
P2 C34A H34A 107.8 . . ?
C34A C35A H35A 109.5 . . ?
C34A C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C34A C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C34A C36A H36A 109.5 . . ?
C34A C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C34A C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C35B C34B C36B 113(2) . . ?
C35B C34B P2 112(2) . . ?
C36B C34B P2 110(2) . . ?
C35B C34B H34B 107.4 . . ?
C36B C34B H34B 107.4 . . ?
P2 C34B H34B 107.4 . . ?
C34B C35B H35D 109.5 . . ?
C34B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C34B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C34B C36B H36D 109.5 . . ?
C34B C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
C34B C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?
C39 C37 C38 110.6(4) . . ?
C39 C37 P2 111.2(3) . . ?
C38 C37 P2 116.5(3) . . ?
C39 C37 H37 105.9 . . ?
C38 C37 H37 105.9 . . ?
P2 C37 H37 105.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C42 108.7(5) . . ?
C41 C40 P2 114.2(4) . . ?
C42 C40 P2 110.3(3) . . ?
C41 C40 H40 107.8 . . ?
C42 C40 H40 107.8 . . ?
P2 C40 H40 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C45 109.1(4) . . ?
C44 C43 P3 111.1(3) . . ?
C45 C43 P3 111.3(3) . . ?
C44 C43 H43 108.4 . . ?
C45 C43 H43 108.4 . . ?
P3 C43 H43 108.4 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C48 110.9(4) . . ?
C47 C46 P3 112.6(3) . . ?
C48 C46 P3 114.6(3) . . ?
C47 C46 H46 106 . . ?
C48 C46 H46 106 . . ?
P3 C46 H46 106 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50A C49A C51A 109.6(6) . . ?
C50A C49A P3 111.7(5) . . ?
C51A C49A P3 111.5(5) . . ?
C50A C49A H49 108 . . ?
C51A C49A H49 108 . . ?
P3 C49A H49 108 . . ?
C49A C50A H50A 109.5 . . ?
C49A C50A H50B 109.5 . . ?
H50A C50A H50B 109.5 . . ?
C49A C50A H50C 109.5 . . ?
H50A C50A H50C 109.5 . . ?
H50B C50A H50C 109.5 . . ?
C49A C51A H51A 109.5 . . ?
C49A C51A H51B 109.5 . . ?
H51A C51A H51B 109.5 . . ?
C49A C51A H51C 109.5 . . ?
H51A C51A H51C 109.5 . . ?
H51B C51A H51C 109.5 . . ?
C50B C49B C51B 108.1(17) . . ?
C50B C49B P3 113.0(16) . . ?
C51B C49B P3 115.5(15) . . ?
C50B C49B H49B 106.6 . . ?
C51B C49B H49B 106.6 . . ?
P3 C49B H49B 106.6 . . ?
C49B C50B H50D 109.5 . . ?
C49B C50B H50E 109.5 . . ?
H50D C50B H50E 109.5 . . ?
C49B C50B H50F 109.5 . . ?
H50D C50B H50F 109.5 . . ?
H50E C50B H50F 109.5 . . ?
C49B C51B H51D 109.5 . . ?
C49B C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
C49B C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
C53 C52 C54 110.5(5) . . ?
C53 C52 P4 111.9(4) . . ?
C54 C52 P4 110.5(4) . . ?
C53 C52 H52 107.9 . . ?
C54 C52 H52 107.9 . . ?
P4 C52 H52 107.9 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C57 112.3(4) . . ?
C56 C55 P4 113.3(4) . . ?
C57 C55 P4 114.2(3) . . ?
C56 C55 H55 105.3 . . ?
C57 C55 H55 105.3 . . ?
P4 C55 H55 105.3 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 C60 108.7(6) . . ?
C59 C58 P4 114.1(4) . . ?
C60 C58 P4 110.5(4) . . ?
C59 C58 H58 107.8 . . ?
C60 C58 H58 107.8 . . ?
P4 C58 H58 107.8 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C66 120 . . ?
C62 C61 C67 124.0(13) . . ?
C66 C61 C67 115.9(13) . . ?
C61 C62 C63 120 . . ?
C61 C62 H62 120 . . ?
C63 C62 H62 120 . . ?
C64 C63 C62 120 . . ?
C64 C63 H63 120 . . ?
C62 C63 H63 120 . . ?
C63 C64 C65 120 . . ?
C63 C64 H64 120 . . ?
C65 C64 H64 120 . . ?
C66 C65 C64 120 . . ?
C66 C65 H65 120 . . ?
C64 C65 H65 120 . . ?
C65 C66 C61 120 . . ?
C65 C66 H66 120 . . ?
C61 C66 H66 120 . . ?
C61 C67 H67A 109.5 . . ?
C61 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C61 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
H67D C67 H67E 109.5 . . ?
H67D C67 H67F 109.5 . . ?
H67E C67 H67F 109.5 . . ?

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
C6 C1 C2 C3 -0.8(6) . . . . ?
Si1 C1 C2 C3 -176.1(3) . . . . ?
C1 C2 C3 C4 0.9(6) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
C3 C4 C5 C6 -0.7(7) . . . . ?
C4 C5 C6 C1 0.8(7) . . . . ?
C2 C1 C6 C5 0.0(6) . . . . ?
Si1 C1 C6 C5 175.1(3) . . . . ?
C1 Si1 C7 C12 -179.4(3) . . . . ?
Ni1 Si1 C7 C12 39.9(4) . . . . ?
Ni5 Si1 C7 C12 -47.0(4) . . . . ?
C1 Si1 C7 C8 4.1(4) . . . . ?
Ni1 Si1 C7 C8 -136.5(3) . . . . ?
Ni5 Si1 C7 C8 136.5(3) . . . . ?
C12 C7 C8 C9 0.8(7) . . . . ?
Si1 C7 C8 C9 177.4(4) . . . . ?
C7 C8 C9 C10 0.1(9) . . . . ?
C8 C9 C10 C11 -0.6(10) . . . . ?
C9 C10 C11 C12 0.2(10) . . . . ?
C10 C11 C12 C7 0.9(9) . . . . ?
C8 C7 C12 C11 -1.3(7) . . . . ?
Si1 C7 C12 C11 -178.0(4) . . . . ?
C18 C13 C14 C15 0.6(6) . . . . ?
Si2 C13 C14 C15 -176.9(4) . . . . ?
C13 C14 C15 C16 -0.8(7) . . . . ?
C14 C15 C16 C17 -0.3(8) . . . . ?
C15 C16 C17 C18 1.6(8) . . . . ?
C16 C17 C18 C13 -1.8(7) . . . . ?
C14 C13 C18 C17 0.7(6) . . . . ?
Si2 C13 C18 C17 178.3(3) . . . . ?
C13 Si2 C19 C20 -43.9(4) . . . . ?
Ni5 Si2 C19 C20 165.2(3) . . . . ?
Ni4 Si2 C19 C20 90.3(3) . . . . ?
C13 Si2 C19 C24 145.7(3) . . . . ?
Ni5 Si2 C19 C24 -5.2(3) . . . . ?
Ni4 Si2 C19 C24 -80.2(3) . . . . ?
C24 C19 C20 C21 0.8(6) . . . . ?
Si2 C19 C20 C21 -170.0(4) . . . . ?
C19 C20 C21 C22 -0.9(7) . . . . ?
C20 C21 C22 C23 0.1(7) . . . . ?
C21 C22 C23 C24 0.8(7) . . . . ?
C22 C23 C24 C19 -0.9(7) . . . . ?
C20 C19 C24 C23 0.1(6) . . . . ?
Si2 C19 C24 C23 170.9(3) . . . . ?
C31 P1 C25 C27 -97.8(3) . . . . ?
C28 P1 C25 C27 155.0(3) . . . . ?
Ni1 P1 C25 C27 41.2(4) . . . . ?
C31 P1 C25 C26 31.2(4) . . . . ?
C28 P1 C25 C26 -76.0(4) . . . . ?
Ni1 P1 C25 C26 170.3(4) . . . . ?
C31 P1 C28 C30 95.5(4) . . . . ?
C25 P1 C28 C30 -155.7(4) . . . . ?
Ni1 P1 C28 C30 -41.2(4) . . . . ?
C31 P1 C28 C29 -32.2(5) . . . . ?
C25 P1 C28 C29 76.6(5) . . . . ?
Ni1 P1 C28 C29 -169.0(5) . . . . ?
C25 P1 C31 C33 62.4(4) . . . . ?
C28 P1 C31 C33 168.8(3) . . . . ?
Ni1 P1 C31 C33 -66.3(4) . . . . ?
C25 P1 C31 C32 -175.1(4) . . . . ?
C28 P1 C31 C32 -68.7(4) . . . . ?
Ni1 P1 C31 C32 56.2(4) . . . . ?
C37 P2 C34A C35A 35.5(5) . . . . ?
C40 P2 C34A C35A 143.2(5) . . . . ?
Ni2 P2 C34A C35A -87.0(5) . . . . ?
C37 P2 C34A C36A 158.7(4) . . . . ?
C40 P2 C34A C36A -93.6(4) . . . . ?
Ni2 P2 C34A C36A 36.1(5) . . . . ?
C40 P2 C37 C39 86.6(4) . . . . ?
C34A P2 C37 C39 -169.5(4) . . . . ?
C34B P2 C37 C39 -150.0(8) . . . . ?
Ni2 P2 C37 C39 -41.7(4) . . . . ?
C40 P2 C37 C38 -41.4(4) . . . . ?
C34A P2 C37 C38 62.5(4) . . . . ?
C34B P2 C37 C38 82.0(9) . . . . ?
Ni2 P2 C37 C38 -169.6(3) . . . . ?
C37 P2 C40 C41 160.3(4) . . . . ?
C34A P2 C40 C41 53.1(5) . . . . ?
C34B P2 C40 C41 51.9(10) . . . . ?
Ni2 P2 C40 C41 -76.6(4) . . . . ?
C37 P2 C40 C42 -76.9(4) . . . . ?
C34A P2 C40 C42 176.0(4) . . . . ?
C34B P2 C40 C42 174.7(9) . . . . ?
Ni2 P2 C40 C42 46.2(4) . . . . ?
C46 P3 C43 C44 -171.2(3) . . . . ?
C49A P3 C43 C44 -63.0(4) . . . . ?
C49B P3 C43 C44 -67.2(8) . . . . ?
Ni3 P3 C43 C44 60.7(4) . . . . ?
C46 P3 C43 C45 67.0(4) . . . . ?
C49A P3 C43 C45 175.1(4) . . . . ?
C49B P3 C43 C45 171.0(8) . . . . ?
Ni3 P3 C43 C45 -61.1(4) . . . . ?
C43 P3 C46 C47 -92.6(4) . . . . ?
C49A P3 C46 C47 164.3(4) . . . . ?
C49B P3 C46 C47 150.2(6) . . . . ?
Ni3 P3 C46 C47 37.1(4) . . . . ?
C43 P3 C46 C48 35.5(4) . . . . ?
C49A P3 C46 C48 -67.7(5) . . . . ?
C49B P3 C46 C48 -81.8(7) . . . . ?
Ni3 P3 C46 C48 165.2(3) . . . . ?
C43 P3 C49A C50A 95.0(5) . . . . ?
C46 P3 C49A C50A -157.8(4) . . . . ?
Ni3 P3 C49A C50A -30.7(5) . . . . ?
C43 P3 C49A C51A -142.1(6) . . . . ?
C46 P3 C49A C51A -34.8(6) . . . . ?
Ni3 P3 C49A C51A 92.3(6) . . . . ?
C43 P3 C49B C50B 91.2(13) . . . . ?
C46 P3 C49B C50B -160.1(13) . . . . ?
Ni3 P3 C49B C50B -41.5(14) . . . . ?
C43 P3 C49B C51B -34.1(19) . . . . ?
C46 P3 C49B C51B 74.7(17) . . . . ?
Ni3 P3 C49B C51B -166.7(16) . . . . ?
C55 P4 C52 C53 62.2(4) . . . . ?
C58 P4 C52 C53 169.3(4) . . . . ?
Ni4 P4 C52 C53 -61.1(5) . . . . ?
C55 P4 C52 C54 -174.2(4) . . . . ?
C58 P4 C52 C54 -67.1(4) . . . . ?
Ni4 P4 C52 C54 62.5(4) . . . . ?
C52 P4 C55 C56 -88.5(4) . . . . ?
C58 P4 C55 C56 166.4(4) . . . . ?
Ni4 P4 C55 C56 43.3(4) . . . . ?
C52 P4 C55 C57 41.8(4) . . . . ?
C58 P4 C55 C57 -63.2(4) . . . . ?
Ni4 P4 C55 C57 173.7(3) . . . . ?
C52 P4 C58 C59 -145.0(4) . . . . ?
C55 P4 C58 C59 -36.7(5) . . . . ?
Ni4 P4 C58 C59 81.3(5) . . . . ?
C52 P4 C58 C60 92.2(5) . . . . ?
C55 P4 C58 C60 -159.5(4) . . . . ?
Ni4 P4 C58 C60 -41.5(5) . . . . ?
C66 C61 C62 C63 0 . . . . ?
C67 C61 C62 C63 177(4) . . . . ?
C61 C62 C63 C64 0 . . . . ?
C62 C63 C64 C65 0 . . . . ?
C63 C64 C65 C66 0 . . . . ?
C64 C65 C66 C61 0 . . . . ?
C62 C61 C66 C65 0 . . . . ?
C67 C61 C66 C65 -177(3) . . . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene'
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks2
_database_code_depnum_ccdc_archive 'CCDC 2371930'
loop_
_audit_author_name
_audit_author_address
'Samuel Johnson'
;University of Windsor
Canada
;
_audit_update_record             
;
2024-07-18 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;

_audit_creation_date             2022-04-12T10:36:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C46  H102  Ni5 P4, C5 H12'
_chemical_formula_sum            'C51 H114 Ni5 P4'
_chemical_formula_weight         1144.85
_chemical_compound_source        synthesized

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6719(8)
_cell_length_b                   13.4829(9)
_cell_length_c                   18.3772(10)
_cell_angle_alpha                91.850(3)
_cell_angle_beta                 101.576(2)
_cell_angle_gamma                103.972(3)
_cell_volume                     2974.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    9956
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      29.65
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_correction_T_min  0.8152
_exptl_absorpt_correction_T_max  0.9032
_shelx_estimated_absorpt_T_min   0.707
_shelx_estimated_absorpt_T_max   0.935

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_number            103131
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.525
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_reflns_Friedel_coverage         0
_reflns_number_total             10454
_reflns_number_gt                9250
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+16.9641P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         10454
_refine_ls_number_parameters     628
_refine_ls_number_restraints     20
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0698
_refine_ls_wR_factor_ref         0.1274
_refine_ls_wR_factor_gt          0.1241
_refine_ls_goodness_of_fit_ref   1.309
_refine_ls_restrained_S_all      1.308
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.553
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.116

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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'
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_
_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 0.10135(6) 0.49678(5) 0.71025(4) 0.01456(16) Uani 1 1 d . . . . .
Ni2 Ni 0.13184(6) 0.33617(5) 0.77378(4) 0.01361(16) Uani 1 1 d . . . . .
Ni3 Ni 0.29845(6) 0.30376(5) 0.73259(4) 0.01357(16) Uani 1 1 d . . . . .
Ni4 Ni 0.27278(6) 0.26329(5) 0.58968(4) 0.01346(16) Uani 1 1 d . . . . .
Ni5 Ni 0.15306(6) 0.35327(5) 0.64321(4) 0.01257(16) Uani 1 1 d . . . . .
P1 P 0.07395(12) 0.62827(11) 0.76657(8) 0.0171(3) Uani 1 1 d . . . . .
P2 P 0.01642(12) 0.22067(11) 0.81736(8) 0.0185(3) Uani 1 1 d . . . . .
P3 P 0.45160(12) 0.36323(12) 0.81404(8) 0.0166(3) Uani 1 1 d . . . . .
P4 P 0.39561(12) 0.20834(11) 0.54502(8) 0.0171(3) Uani 1 1 d . . . . .
C1 C 0.1168(5) 0.4145(4) 0.5499(3) 0.0174(12) Uani 1 1 d . . . . .
C2 C 0.0495(5) 0.4555(5) 0.5907(3) 0.0194(13) Uani 1 1 d . . . . .
C3 C 0.0970(5) 0.5621(5) 0.6141(3) 0.0208(13) Uani 1 1 d . . . . .
C4 C 0.2077(5) 0.5930(5) 0.5894(3) 0.0252(14) Uani 1 1 d . . . . .
H4A H 0.270759 0.606824 0.633126 0.03 Uiso 1 1 calc R U . . .
H4B H 0.212037 0.655525 0.56215 0.03 Uiso 1 1 calc R U . . .
C5 C 0.2112(5) 0.5006(4) 0.5374(3) 0.0200(13) Uani 1 1 d . . . . .
H5A H 0.199436 0.516551 0.484661 0.024 Uiso 1 1 calc R U . . .
H5B H 0.283448 0.482567 0.551456 0.024 Uiso 1 1 calc R U . . .
C6 C 0.0979(4) 0.3086(4) 0.5287(3) 0.0163(12) Uani 1 1 d . . . . .
C7 C 0.1666(5) 0.2608(4) 0.4924(3) 0.0169(12) Uani 1 1 d . . . . .
C8 C 0.0942(5) 0.1565(5) 0.4578(3) 0.0230(13) Uani 1 1 d . . . . .
H8A H 0.138987 0.105501 0.458553 0.028 Uiso 1 1 calc R U . . .
H8B H 0.056581 0.160562 0.4057 0.028 Uiso 1 1 calc R U . . .
C9 C 0.0103(5) 0.1288(5) 0.5071(4) 0.0275(14) Uani 1 1 d . . . . .
H9A H 0.041771 0.099259 0.552541 0.033 Uiso 1 1 calc R U . . .
H9B H -0.058606 0.079198 0.479956 0.033 Uiso 1 1 calc R U . . .
C10 C -0.0125(5) 0.2313(4) 0.5265(3) 0.0219(13) Uani 1 1 d . . . . .
H10A H -0.072643 0.245452 0.487984 0.026 Uiso 1 1 calc R U . . .
H10B H -0.033706 0.232494 0.575449 0.026 Uiso 1 1 calc R U . . .
C11 C 0.0510(5) 0.6232(5) 0.8638(3) 0.0246(14) Uani 1 1 d . . . . .
H11 H 0.031753 0.688052 0.877457 0.03 Uiso 1 1 calc R U . . .
C12 C 0.1532(6) 0.6164(6) 0.9199(4) 0.0366(17) Uani 1 1 d . . . . .
H12A H 0.134996 0.608158 0.969113 0.055 Uiso 1 1 calc R U . . .
H12B H 0.212305 0.679278 0.922203 0.055 Uiso 1 1 calc R U . . .
H12C H 0.178608 0.557295 0.904893 0.055 Uiso 1 1 calc R U . . .
C13 C -0.0465(5) 0.5336(5) 0.8694(3) 0.0267(14) Uani 1 1 d . . . . .
H13A H -0.034797 0.469828 0.849298 0.04 Uiso 1 1 calc R U . . .
H13B H -0.115816 0.545209 0.840618 0.04 Uiso 1 1 calc R U . . .
H13C H -0.051414 0.528326 0.921688 0.04 Uiso 1 1 calc R U . . .
C14 C 0.1856(5) 0.7506(5) 0.7771(4) 0.0258(14) Uani 1 1 d . . . . .
H14 H 0.179312 0.793851 0.820478 0.031 Uiso 1 1 calc R U . . .
C15 C 0.3005(5) 0.7298(5) 0.7945(4) 0.0365(17) Uani 1 1 d . . . . .
H15A H 0.311781 0.693109 0.750987 0.055 Uiso 1 1 calc R U . . .
H15B H 0.306223 0.68797 0.837057 0.055 Uiso 1 1 calc R U . . .
H15C H 0.357424 0.795063 0.806734 0.055 Uiso 1 1 calc R U . . .
C16 C 0.1786(6) 0.8140(5) 0.7091(4) 0.0334(16) Uani 1 1 d . . . . .
H16A H 0.23969 0.876428 0.719275 0.05 Uiso 1 1 calc R U . . .
H16B H 0.10724 0.832553 0.699053 0.05 Uiso 1 1 calc R U . . .
H16C H 0.184451 0.77331 0.665575 0.05 Uiso 1 1 calc R U . . .
C17 C -0.0524(5) 0.6654(4) 0.7155(3) 0.0212(13) Uani 1 1 d . . . . .
H17 H -0.030729 0.697598 0.670628 0.025 Uiso 1 1 calc R U . . .
C18 C -0.0894(5) 0.7464(5) 0.7569(4) 0.0286(15) Uani 1 1 d . . . . .
H18A H -0.145424 0.770919 0.722406 0.043 Uiso 1 1 calc R U . . .
H18B H -0.025058 0.804066 0.777023 0.043 Uiso 1 1 calc R U . . .
H18C H -0.121593 0.716321 0.79786 0.043 Uiso 1 1 calc R U . . .
C19 C -0.1497(5) 0.5720(5) 0.6849(3) 0.0255(14) Uani 1 1 d . . . . .
H19A H -0.181301 0.542102 0.726151 0.038 Uiso 1 1 calc R U . . .
H19B H -0.122901 0.520876 0.659744 0.038 Uiso 1 1 calc R U . . .
H19C H -0.207034 0.593343 0.649382 0.038 Uiso 1 1 calc R U . . .
C20 C -0.1308(5) 0.2307(5) 0.8026(4) 0.0316(15) Uani 1 1 d . . . . .
H20 H -0.134077 0.277264 0.845082 0.038 Uiso 1 1 calc R U . . .
C21 C -0.1645(6) 0.2813(6) 0.7323(4) 0.0432(19) Uani 1 1 d . . . . .
H21A H -0.17433 0.233686 0.688663 0.065 Uiso 1 1 calc R U . . .
H21B H -0.106393 0.343403 0.730227 0.065 Uiso 1 1 calc R U . . .
H21C H -0.234716 0.299702 0.732625 0.065 Uiso 1 1 calc R U . . .
C22 C -0.2207(6) 0.1299(6) 0.8025(5) 0.047(2) Uani 1 1 d . . . . .
H22A H -0.293197 0.14515 0.799303 0.071 Uiso 1 1 calc R U . . .
H22B H -0.201427 0.097453 0.84854 0.071 Uiso 1 1 calc R U . . .
H22C H -0.224351 0.083255 0.759493 0.071 Uiso 1 1 calc R U . . .
C23 C 0.0051(6) 0.0861(5) 0.7845(4) 0.0309(15) Uani 1 1 d . . . . .
H23 H -0.054688 0.040123 0.804779 0.037 Uiso 1 1 calc R U . . .
C24 C -0.0279(7) 0.0715(5) 0.6993(4) 0.046(2) Uani 1 1 d . . . . .
H24A H 0.029421 0.11657 0.67835 0.069 Uiso 1 1 calc R U . . .
H24B H -0.099257 0.088726 0.682454 0.069 Uiso 1 1 calc R U . . .
H24C H -0.03515 -0.000048 0.682682 0.069 Uiso 1 1 calc R U . . .
C25 C 0.1124(6) 0.0547(5) 0.8109(5) 0.048(2) Uani 1 1 d . . . . .
H25A H 0.108479 -0.010526 0.78399 0.072 Uiso 1 1 calc R U . . .
H25B H 0.123199 0.046516 0.864485 0.072 Uiso 1 1 calc R U . . .
H25C H 0.175019 0.107623 0.801378 0.072 Uiso 1 1 calc R U . . .
C26 C 0.0610(5) 0.2189(5) 0.9209(3) 0.0267(14) Uani 1 1 d . . . . .
H26 H 0.13446 0.201145 0.929555 0.032 Uiso 1 1 calc R U . . .
C27 C 0.0834(6) 0.3253(5) 0.9590(4) 0.0345(16) Uani 1 1 d . . . . .
H27A H 0.012853 0.344558 0.955747 0.052 Uiso 1 1 calc R U . . .
H27B H 0.132408 0.374469 0.934568 0.052 Uiso 1 1 calc R U . . .
H27C H 0.1193 0.325838 1.011559 0.052 Uiso 1 1 calc R U . . .
C28 C -0.0134(7) 0.1404(6) 0.9584(4) 0.049(2) Uani 1 1 d . . . . .
H28A H 0.02465 0.138009 1.010068 0.074 Uiso 1 1 calc R U . . .
H28B H -0.02954 0.072642 0.931492 0.074 Uiso 1 1 calc R U . . .
H28C H -0.083189 0.159853 0.95786 0.074 Uiso 1 1 calc R U . . .
C29 C 0.5454(5) 0.4694(5) 0.7782(4) 0.0279(14) Uani 1 1 d . . . . .
H29 H 0.583074 0.436028 0.74521 0.034 Uiso 1 1 calc R U . . .
C30 C 0.4784(6) 0.5317(5) 0.7281(4) 0.0343(16) Uani 1 1 d . . . . .
H30A H 0.449619 0.574919 0.758955 0.051 Uiso 1 1 calc R U . . .
H30B H 0.416143 0.484778 0.693369 0.051 Uiso 1 1 calc R U . . .
H30C H 0.526786 0.57506 0.699859 0.051 Uiso 1 1 calc R U . . .
C31 C 0.6386(6) 0.5424(6) 0.8353(5) 0.048(2) Uani 1 1 d . . . . .
H31A H 0.680068 0.596129 0.809668 0.072 Uiso 1 1 calc R U . . .
H31B H 0.689135 0.50403 0.861423 0.072 Uiso 1 1 calc R U . . .
H31C H 0.606351 0.573789 0.871384 0.072 Uiso 1 1 calc R U . . .
C32 C 0.4446(5) 0.4172(5) 0.9073(3) 0.0234(13) Uani 1 1 d . . . . .
H32 H 0.522419 0.447041 0.936159 0.028 Uiso 1 1 calc R U . . .
C33 C 0.3869(6) 0.3359(6) 0.9510(4) 0.0401(18) Uani 1 1 d . . . . .
H33A H 0.372186 0.368735 0.99494 0.06 Uiso 1 1 calc R U . . .
H33B H 0.434817 0.289881 0.966939 0.06 Uiso 1 1 calc R U . . .
H33C H 0.316429 0.296315 0.919497 0.06 Uiso 1 1 calc R U . . .
C34 C 0.3844(5) 0.5036(5) 0.8974(4) 0.0329(16) Uani 1 1 d . . . . .
H34A H 0.312807 0.478738 0.862039 0.049 Uiso 1 1 calc R U . . .
H34B H 0.430364 0.562018 0.878355 0.049 Uiso 1 1 calc R U . . .
H34C H 0.371533 0.525275 0.945635 0.049 Uiso 1 1 calc R U . . .
C35 C 0.5370(5) 0.2684(5) 0.8348(4) 0.0299(15) Uani 1 1 d . . . . .
H35 H 0.56584 0.259009 0.788887 0.036 Uiso 1 1 calc R U . . .
C36 C 0.4649(6) 0.1634(5) 0.8443(4) 0.0393(18) Uani 1 1 d . . . . .
H36A H 0.503246 0.110529 0.835712 0.059 Uiso 1 1 calc R U . . .
H36B H 0.393652 0.150045 0.8082 0.059 Uiso 1 1 calc R U . . .
H36C H 0.451459 0.162276 0.894944 0.059 Uiso 1 1 calc R U . . .
C37 C 0.6407(6) 0.2994(7) 0.8992(5) 0.052(2) Uani 1 1 d . . . . .
H37A H 0.617831 0.311565 0.945849 0.078 Uiso 1 1 calc R U . . .
H37B H 0.691204 0.362189 0.888787 0.078 Uiso 1 1 calc R U . . .
H37C H 0.679048 0.244124 0.903815 0.078 Uiso 1 1 calc R U . . .
C38 C 0.5399(5) 0.2883(5) 0.5815(3) 0.0258(14) Uani 1 1 d . . . . .
H38 H 0.555498 0.280738 0.636322 0.031 Uiso 1 1 calc R U . . .
C39 C 0.5505(6) 0.4031(5) 0.5744(4) 0.0338(16) Uani 1 1 d . . . . .
H39A H 0.620313 0.442774 0.606656 0.051 Uiso 1 1 calc R U . . .
H39B H 0.487584 0.422114 0.589422 0.051 Uiso 1 1 calc R U . . .
H39C H 0.550469 0.417883 0.522509 0.051 Uiso 1 1 calc R U . . .
C40 C 0.6336(5) 0.2561(6) 0.5529(4) 0.0370(17) Uani 1 1 d . . . . .
H40A H 0.626298 0.266721 0.499842 0.055 Uiso 1 1 calc R U . . .
H40B H 0.62839 0.183444 0.559873 0.055 Uiso 1 1 calc R U . . .
H40C H 0.705844 0.297593 0.580858 0.055 Uiso 1 1 calc R U . . .
C41 C 0.3751(5) 0.1921(5) 0.4411(3) 0.0238(13) Uani 1 1 d . . . . .
H41 H 0.292753 0.165872 0.422606 0.029 Uiso 1 1 calc R U . . .
C42 C 0.4048(6) 0.2938(6) 0.4075(4) 0.0351(17) Uani 1 1 d . . . . .
H42A H 0.485766 0.316859 0.413573 0.053 Uiso 1 1 calc R U . . .
H42B H 0.378277 0.344965 0.432956 0.053 Uiso 1 1 calc R U . . .
H42C H 0.369452 0.285378 0.35436 0.053 Uiso 1 1 calc R U . . .
C43 C 0.4251(6) 0.1139(6) 0.4065(4) 0.0395(18) Uani 1 1 d . . . . .
H43A H 0.402635 0.110001 0.352071 0.059 Uiso 1 1 calc R U . . .
H43B H 0.397976 0.046308 0.423854 0.059 Uiso 1 1 calc R U . . .
H43C H 0.506445 0.135347 0.421629 0.059 Uiso 1 1 calc R U . . .
C44 C 0.4064(5) 0.0791(4) 0.5723(3) 0.0232(13) Uani 1 1 d . . . . .
H44 H 0.459282 0.056282 0.545878 0.028 Uiso 1 1 calc R U . . .
C45 C 0.2927(6) 0.0037(5) 0.5492(4) 0.0367(17) Uani 1 1 d . . . . .
H45A H 0.298737 -0.064934 0.562297 0.055 Uiso 1 1 calc R U . . .
H45B H 0.265645 0.00213 0.495209 0.055 Uiso 1 1 calc R U . . .
H45C H 0.240406 0.025129 0.575103 0.055 Uiso 1 1 calc R U . . .
C46 C 0.4486(7) 0.0796(5) 0.6560(4) 0.0380(17) Uani 1 1 d . . . . .
H46A H 0.402061 0.109044 0.68259 0.057 Uiso 1 1 calc R U . . .
H46B H 0.525832 0.12086 0.670254 0.057 Uiso 1 1 calc R U . . .
H46C H 0.445106 0.009137 0.669097 0.057 Uiso 1 1 calc R U . . .
C47A C 0.3572(16) 0.1564(13) 1.1852(9) 0.063(4) Uani 0.644(14) 1 d D U P A 1
H47A H 0.375017 0.223292 1.213571 0.095 Uiso 0.644(14) 1 calc R U P A 1
H47B H 0.293716 0.110237 1.199742 0.095 Uiso 0.644(14) 1 calc R U P A 1
H47C H 0.421773 0.127125 1.195741 0.095 Uiso 0.644(14) 1 calc R U P A 1
C48A C 0.3278(19) 0.1695(19) 1.1026(10) 0.089(7) Uani 0.644(14) 1 d D U P A 1
H48A H 0.265609 0.203204 1.09552 0.107 Uiso 0.644(14) 1 calc R U P A 1
H48B H 0.392444 0.219931 1.091558 0.107 Uiso 0.644(14) 1 calc R U P A 1
C49A C 0.2968(15) 0.0859(12) 1.0436(9) 0.070(4) Uani 0.644(14) 1 d D U P A 1
H49A H 0.281259 0.118574 0.996525 0.085 Uiso 0.644(14) 1 calc R U P A 1
H49B H 0.224071 0.043241 1.049563 0.085 Uiso 0.644(14) 1 calc R U P A 1
C50A C 0.3609(14) 0.0120(11) 1.0285(9) 0.074(4) Uani 0.644(14) 1 d D U P A 1
H50A H 0.369052 -0.029014 1.072055 0.089 Uiso 0.644(14) 1 calc R U P A 1
H50B H 0.436567 0.05204 1.026188 0.089 Uiso 0.644(14) 1 calc R U P A 1
C51A C 0.316(6) -0.063(5) 0.958(3) 0.090(5) Uani 0.644(14) 1 d D U P A 1
H51A H 0.367433 -0.106962 0.955814 0.135 Uiso 0.644(14) 1 calc R U P A 1
H51B H 0.242655 -0.106263 0.959929 0.135 Uiso 0.644(14) 1 calc R U P A 1
H51C H 0.310528 -0.02478 0.913819 0.135 Uiso 0.644(14) 1 calc R U P A 1
C47B C 0.288(4) 0.161(4) 1.152(3) 0.137(19) Uani 0.356(14) 1 d D U P A 2
H47D H 0.313984 0.222694 1.187093 0.205 Uiso 0.356(14) 1 calc R U P A 2
H47E H 0.226346 0.169606 1.112634 0.205 Uiso 0.356(14) 1 calc R U P A 2
H47F H 0.261813 0.101263 1.178292 0.205 Uiso 0.356(14) 1 calc R U P A 2
C48B C 0.377(3) 0.147(3) 1.119(3) 0.103(14) Uani 0.356(14) 1 d D U P A 2
H48C H 0.404236 0.209561 1.094152 0.123 Uiso 0.356(14) 1 calc R U P A 2
H48D H 0.439601 0.141417 1.159619 0.123 Uiso 0.356(14) 1 calc R U P A 2
C49B C 0.354(3) 0.066(2) 1.0699(15) 0.083(10) Uani 0.356(14) 1 d D U P A 2
H49C H 0.324652 0.008177 1.097976 0.1 Uiso 0.356(14) 1 calc R U P A 2
H49D H 0.427664 0.059468 1.064421 0.1 Uiso 0.356(14) 1 calc R U P A 2
C50B C 0.291(3) 0.041(2) 1.0012(16) 0.074(4) Uani 0.356(14) 1 d D U P A 2
H50C H 0.308996 0.099492 0.970642 0.089 Uiso 0.356(14) 1 calc R U P A 2
H50D H 0.211686 0.029917 1.003875 0.089 Uiso 0.356(14) 1 calc R U P A 2
C51B C 0.305(11) -0.050(9) 0.964(5) 0.090(5) Uani 0.356(14) 1 d D U P A 2
H51D H 0.256984 -0.063578 0.914393 0.135 Uiso 0.356(14) 1 calc R U P A 2
H51E H 0.3832 -0.038861 0.960155 0.135 Uiso 0.356(14) 1 calc R U P A 2
H51F H 0.285758 -0.10853 0.993432 0.135 Uiso 0.356(14) 1 calc R U P A 2
H7A H 0.211(9) 0.296(8) 0.464(6) 0.108 Uiso 1 1 d . U . . .
H2A H -0.027(9) 0.425(8) 0.587(6) 0.108 Uiso 1 1 d . U . . .
H3A H 0.049(9) 0.610(8) 0.607(6) 0.108 Uiso 1 1 d . U . . .
H2 H 0.213(5) 0.285(5) 0.783(3) 0.028(17) Uiso 1 1 d . . . . .
H1 H 0.202(5) 0.256(5) 0.661(4) 0.036(19) Uiso 1 1 d . . . . .
H3 H 0.363(5) 0.288(5) 0.671(4) 0.037(19) Uiso 1 1 d . . . . .
H4 H 0.078(5) 0.426(5) 0.773(3) 0.032(18) Uiso 1 1 d . . . . .
H5 H 0.198(7) 0.415(7) 0.722(5) 0.08(3) Uiso 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C3 1.997(6) . ?
Ni1 P1 2.1582(16) . ?
Ni1 C2 2.175(6) . ?
Ni1 Ni5 2.5444(9) . ?
Ni1 Ni2 2.5667(10) . ?
Ni1 H4 1.56(6) . ?
Ni1 H5 1.83(9) . ?
Ni2 P2 2.1579(16) . ?
Ni2 Ni5 2.4795(9) . ?
Ni2 Ni3 2.5074(9) . ?
Ni2 H2 1.36(6) . ?
Ni2 H4 1.52(6) . ?
Ni2 H5 1.63(9) . ?
Ni3 P3 2.1575(16) . ?
Ni3 Ni5 2.4471(9) . ?
Ni3 Ni4 2.6038(9) . ?
Ni3 H2 1.54(6) . ?
Ni3 H1 1.60(6) . ?
Ni3 H3 1.55(7) . ?
Ni4 C7 2.004(6) . ?
Ni4 P4 2.1622(16) . ?
Ni4 Ni5 2.4803(9) . ?
Ni4 C6 2.498(5) . ?
Ni4 H1 1.71(6) . ?
Ni4 H3 1.66(7) . ?
Ni5 C1 1.948(5) . ?
Ni5 C6 2.098(5) . ?
Ni5 C2 2.237(6) . ?
Ni5 H1 1.60(6) . ?
Ni5 H5 1.58(9) . ?
P1 C11 1.868(6) . ?
P1 C14 1.871(6) . ?
P1 C17 1.874(6) . ?
P2 C23 1.857(6) . ?
P2 C20 1.869(7) . ?
P2 C26 1.875(6) . ?
P3 C29 1.857(6) . ?
P3 C32 1.866(6) . ?
P3 C35 1.867(6) . ?
P4 C44 1.857(6) . ?
P4 C38 1.861(7) . ?
P4 C41 1.874(6) . ?
C1 C6 1.417(8) . ?
C1 C2 1.434(8) . ?
C1 C5 1.512(8) . ?
C2 C3 1.433(8) . ?
C2 H2A 0.95(11) . ?
C3 C4 1.526(8) . ?
C3 H3A 0.98(11) . ?
C4 C5 1.560(8) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C6 C7 1.448(7) . ?
C6 C10 1.522(8) . ?
C7 C8 1.519(8) . ?
C7 H7A 0.90(11) . ?
C8 C9 1.520(9) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C9 C10 1.524(8) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.509(9) . ?
C11 C13 1.528(9) . ?
C11 H11 1 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 C15 1.522(9) . ?
C14 C16 1.537(9) . ?
C14 H14 1 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 C18 1.526(8) . ?
C17 C19 1.532(8) . ?
C17 H17 1 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C21 1.513(9) . ?
C20 C22 1.548(9) . ?
C20 H20 1 . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 C25 1.513(10) . ?
C23 C24 1.529(10) . ?
C23 H23 1 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 C27 1.513(9) . ?
C26 C28 1.521(9) . ?
C26 H26 1 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 C31 1.529(9) . ?
C29 C30 1.535(9) . ?
C29 H29 1 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 C33 1.513(9) . ?
C32 C34 1.537(9) . ?
C32 H32 1 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C35 C36 1.524(10) . ?
C35 C37 1.543(9) . ?
C35 H35 1 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
C37 H37A 0.98 . ?
C37 H37B 0.98 . ?
C37 H37C 0.98 . ?
C38 C39 1.534(9) . ?
C38 C40 1.536(8) . ?
C38 H38 1 . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 C42 1.517(9) . ?
C41 C43 1.536(8) . ?
C41 H41 1 . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 H43A 0.98 . ?
C43 H43B 0.98 . ?
C43 H43C 0.98 . ?
C44 C45 1.520(9) . ?
C44 C46 1.523(9) . ?
C44 H44 1 . ?
C45 H45A 0.98 . ?
C45 H45B 0.98 . ?
C45 H45C 0.98 . ?
C46 H46A 0.98 . ?
C46 H46B 0.98 . ?
C46 H46C 0.98 . ?
C47A C48A 1.52(2) . ?
C47A H47A 0.98 . ?
C47A H47B 0.98 . ?
C47A H47C 0.98 . ?
C48A C49A 1.461(18) . ?
C48A H48A 0.99 . ?
C48A H48B 0.99 . ?
C49A C50A 1.481(19) . ?
C49A H49A 0.99 . ?
C49A H49B 0.99 . ?
C50A C51A 1.54(3) . ?
C50A H50A 0.99 . ?
C50A H50B 0.99 . ?
C51A H51A 0.98 . ?
C51A H51B 0.98 . ?
C51A H51C 0.98 . ?
C47B C48B 1.44(4) . ?
C47B H47D 0.98 . ?
C47B H47E 0.98 . ?
C47B H47F 0.98 . ?
C48B C49B 1.33(3) . ?
C48B H48C 0.99 . ?
C48B H48D 0.99 . ?
C49B C50B 1.33(3) . ?
C49B H49C 0.99 . ?
C49B H49D 0.99 . ?
C50B C51B 1.45(4) . ?
C50B H50C 0.99 . ?
C50B H50D 0.99 . ?
C51B H51D 0.98 . ?
C51B H51E 0.98 . ?
C51B H51F 0.98 . ?

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
C3 Ni1 P1 92.54(17) . . ?
C3 Ni1 C2 39.9(2) . . ?
P1 Ni1 C2 124.65(16) . . ?
C3 Ni1 Ni5 85.31(17) . . ?
P1 Ni1 Ni5 174.14(6) . . ?
C2 Ni1 Ni5 55.93(15) . . ?
C3 Ni1 Ni2 143.31(17) . . ?
P1 Ni1 Ni2 124.10(5) . . ?
C2 Ni1 Ni2 107.87(16) . . ?
Ni5 Ni1 Ni2 58.04(3) . . ?
C3 Ni1 H4 165(2) . . ?
P1 Ni1 H4 94(2) . . ?
C2 Ni1 H4 127(2) . . ?
Ni5 Ni1 H4 89(2) . . ?
Ni2 Ni1 H4 33(2) . . ?
C3 Ni1 H5 112(3) . . ?
P1 Ni1 H5 139(3) . . ?
C2 Ni1 H5 93(3) . . ?
Ni5 Ni1 H5 38(3) . . ?
Ni2 Ni1 H5 39(3) . . ?
H4 Ni1 H5 71(4) . . ?
P2 Ni2 Ni5 128.97(5) . . ?
P2 Ni2 Ni3 123.20(5) . . ?
Ni5 Ni2 Ni3 58.77(3) . . ?
P2 Ni2 Ni1 129.43(5) . . ?
Ni5 Ni2 Ni1 60.53(3) . . ?
Ni3 Ni2 Ni1 103.94(3) . . ?
P2 Ni2 H2 95(3) . . ?
Ni5 Ni2 H2 88(3) . . ?
Ni3 Ni2 H2 32(3) . . ?
Ni1 Ni2 H2 135(3) . . ?
P2 Ni2 H4 101(2) . . ?
Ni5 Ni2 H4 93(2) . . ?
Ni3 Ni2 H4 135(2) . . ?
Ni1 Ni2 H4 34(2) . . ?
H2 Ni2 H4 159(4) . . ?
P2 Ni2 H5 167(3) . . ?
Ni5 Ni2 H5 39(3) . . ?
Ni3 Ni2 H5 59(3) . . ?
Ni1 Ni2 H5 45(3) . . ?
H2 Ni2 H5 90(4) . . ?
H4 Ni2 H5 77(4) . . ?
P3 Ni3 Ni5 143.64(5) . . ?
P3 Ni3 Ni2 112.97(5) . . ?
Ni5 Ni3 Ni2 60.05(3) . . ?
P3 Ni3 Ni4 128.10(5) . . ?
Ni5 Ni3 Ni4 58.72(3) . . ?
Ni2 Ni3 Ni4 115.36(3) . . ?
P3 Ni3 H2 101(2) . . ?
Ni5 Ni3 H2 85(2) . . ?
Ni2 Ni3 H2 28(2) . . ?
Ni4 Ni3 H2 131(2) . . ?
P3 Ni3 H1 168(2) . . ?
Ni5 Ni3 H1 40(2) . . ?
Ni2 Ni3 H1 79(2) . . ?
Ni4 Ni3 H1 40(2) . . ?
H2 Ni3 H1 91(3) . . ?
P3 Ni3 H3 92(2) . . ?
Ni5 Ni3 H3 92(2) . . ?
Ni2 Ni3 H3 152(2) . . ?
Ni4 Ni3 H3 37(2) . . ?
H2 Ni3 H3 162(3) . . ?
H1 Ni3 H3 76(3) . . ?
C7 Ni4 P4 97.11(16) . . ?
C7 Ni4 Ni5 85.21(16) . . ?
P4 Ni4 Ni5 170.95(5) . . ?
C7 Ni4 C6 35.41(19) . . ?
P4 Ni4 C6 132.28(13) . . ?
Ni5 Ni4 C6 49.85(12) . . ?
C7 Ni4 Ni3 141.99(16) . . ?
P4 Ni4 Ni3 120.88(5) . . ?
Ni5 Ni4 Ni3 57.48(3) . . ?
C6 Ni4 Ni3 106.77(12) . . ?
C7 Ni4 H1 109(2) . . ?
P4 Ni4 H1 145(2) . . ?
Ni5 Ni4 H1 40(2) . . ?
C6 Ni4 H1 78(2) . . ?
Ni3 Ni4 H1 37(2) . . ?
C7 Ni4 H3 170(2) . . ?
P4 Ni4 H3 88(2) . . ?
Ni5 Ni4 H3 89(2) . . ?
C6 Ni4 H3 138(2) . . ?
Ni3 Ni4 H3 35(2) . . ?
H1 Ni4 H3 70(3) . . ?
C1 Ni5 C6 40.8(2) . . ?
C1 Ni5 C2 39.3(2) . . ?
C6 Ni5 C2 70.8(2) . . ?
C1 Ni5 Ni3 145.99(17) . . ?
C6 Ni5 Ni3 128.43(15) . . ?
C2 Ni5 Ni3 157.34(15) . . ?
C1 Ni5 Ni2 148.17(16) . . ?
C6 Ni5 Ni2 150.91(16) . . ?
C2 Ni5 Ni2 108.89(15) . . ?
Ni3 Ni5 Ni2 61.18(3) . . ?
C1 Ni5 Ni4 90.68(16) . . ?
C6 Ni5 Ni4 65.51(15) . . ?
C2 Ni5 Ni4 129.97(15) . . ?
Ni3 Ni5 Ni4 63.80(3) . . ?
Ni2 Ni5 Ni4 121.13(3) . . ?
C1 Ni5 Ni1 88.93(16) . . ?
C6 Ni5 Ni1 124.41(15) . . ?
C2 Ni5 Ni1 53.65(14) . . ?
Ni3 Ni5 Ni1 106.39(3) . . ?
Ni2 Ni5 Ni1 61.43(3) . . ?
Ni4 Ni5 Ni1 157.95(4) . . ?
C1 Ni5 H1 131(2) . . ?
C6 Ni5 H1 94(2) . . ?
C2 Ni5 H1 163(2) . . ?
Ni3 Ni5 H1 40(2) . . ?
Ni2 Ni5 H1 80(2) . . ?
Ni4 Ni5 H1 43(2) . . ?
Ni1 Ni5 H1 140(2) . . ?
C1 Ni5 H5 125(3) . . ?
C6 Ni5 H5 166(3) . . ?
C2 Ni5 H5 98(3) . . ?
Ni3 Ni5 H5 61(3) . . ?
Ni2 Ni5 H5 40(3) . . ?
Ni4 Ni5 H5 120(3) . . ?
Ni1 Ni5 H5 46(3) . . ?
H1 Ni5 H5 99(4) . . ?
C11 P1 C14 100.4(3) . . ?
C11 P1 C17 102.4(3) . . ?
C14 P1 C17 102.8(3) . . ?
C11 P1 Ni1 120.3(2) . . ?
C14 P1 Ni1 116.8(2) . . ?
C17 P1 Ni1 111.83(19) . . ?
C23 P2 C20 104.6(3) . . ?
C23 P2 C26 101.7(3) . . ?
C20 P2 C26 104.4(3) . . ?
C23 P2 Ni2 115.4(2) . . ?
C20 P2 Ni2 117.3(2) . . ?
C26 P2 Ni2 111.8(2) . . ?
C29 P3 C32 104.3(3) . . ?
C29 P3 C35 103.2(3) . . ?
C32 P3 C35 104.9(3) . . ?
C29 P3 Ni3 110.7(2) . . ?
C32 P3 Ni3 118.68(19) . . ?
C35 P3 Ni3 113.6(2) . . ?
C44 P4 C38 102.3(3) . . ?
C44 P4 C41 102.3(3) . . ?
C38 P4 C41 107.0(3) . . ?
C44 P4 Ni4 113.5(2) . . ?
C38 P4 Ni4 112.7(2) . . ?
C41 P4 Ni4 117.4(2) . . ?
C6 C1 C2 123.7(5) . . ?
C6 C1 C5 127.0(5) . . ?
C2 C1 C5 109.3(5) . . ?
C6 C1 Ni5 75.3(3) . . ?
C2 C1 Ni5 81.3(3) . . ?
C5 C1 Ni5 113.0(4) . . ?
C3 C2 C1 111.6(5) . . ?
C3 C2 Ni1 63.4(3) . . ?
C1 C2 Ni1 121.9(4) . . ?
C3 C2 Ni5 113.7(4) . . ?
C1 C2 Ni5 59.4(3) . . ?
Ni1 C2 Ni5 70.42(17) . . ?
C3 C2 H2A 121(7) . . ?
C1 C2 H2A 123(7) . . ?
Ni1 C2 H2A 100(7) . . ?
Ni5 C2 H2A 111(7) . . ?
C2 C3 C4 107.3(5) . . ?
C2 C3 Ni1 76.7(3) . . ?
C4 C3 Ni1 115.8(4) . . ?
C2 C3 H3A 119(6) . . ?
C4 C3 H3A 117(6) . . ?
Ni1 C3 H3A 114(6) . . ?
C3 C4 C5 106.1(5) . . ?
C3 C4 H4A 110.5 . . ?
C5 C4 H4A 110.5 . . ?
C3 C4 H4B 110.5 . . ?
C5 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C1 C5 C4 104.0(5) . . ?
C1 C5 H5A 111 . . ?
C4 C5 H5A 111 . . ?
C1 C5 H5B 111 . . ?
C4 C5 H5B 111 . . ?
H5A C5 H5B 109 . . ?
C1 C6 C7 126.9(5) . . ?
C1 C6 C10 122.9(5) . . ?
C7 C6 C10 109.1(5) . . ?
C1 C6 Ni5 63.9(3) . . ?
C7 C6 Ni5 117.9(4) . . ?
C10 C6 Ni5 101.6(4) . . ?
C1 C6 Ni4 104.8(3) . . ?
C7 C6 Ni4 53.3(3) . . ?
C10 C6 Ni4 118.1(4) . . ?
Ni5 C6 Ni4 64.64(14) . . ?
C6 C7 C8 106.7(5) . . ?
C6 C7 Ni4 91.2(3) . . ?
C8 C7 Ni4 116.8(4) . . ?
C6 C7 H7A 121(7) . . ?
C8 C7 H7A 116(7) . . ?
Ni4 C7 H7A 103(7) . . ?
C7 C8 C9 103.7(5) . . ?
C7 C8 H8A 111 . . ?
C9 C8 H8A 111 . . ?
C7 C8 H8B 111 . . ?
C9 C8 H8B 111 . . ?
H8A C8 H8B 109 . . ?
C8 C9 C10 103.4(5) . . ?
C8 C9 H9A 111.1 . . ?
C10 C9 H9A 111.1 . . ?
C8 C9 H9B 111.1 . . ?
C10 C9 H9B 111.1 . . ?
H9A C9 H9B 109.1 . . ?
C6 C10 C9 103.6(5) . . ?
C6 C10 H10A 111 . . ?
C9 C10 H10A 111 . . ?
C6 C10 H10B 111 . . ?
C9 C10 H10B 111 . . ?
H10A C10 H10B 109 . . ?
C12 C11 C13 109.3(5) . . ?
C12 C11 P1 112.8(4) . . ?
C13 C11 P1 111.3(4) . . ?
C12 C11 H11 107.7 . . ?
C13 C11 H11 107.7 . . ?
P1 C11 H11 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C16 108.0(5) . . ?
C15 C14 P1 110.9(4) . . ?
C16 C14 P1 114.8(4) . . ?
C15 C14 H14 107.6 . . ?
C16 C14 H14 107.6 . . ?
P1 C14 H14 107.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 111.5(5) . . ?
C18 C17 P1 115.7(4) . . ?
C19 C17 P1 112.3(4) . . ?
C18 C17 H17 105.5 . . ?
C19 C17 H17 105.5 . . ?
P1 C17 H17 105.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C22 108.5(6) . . ?
C21 C20 P2 112.2(5) . . ?
C22 C20 P2 116.5(5) . . ?
C21 C20 H20 106.3 . . ?
C22 C20 H20 106.3 . . ?
P2 C20 H20 106.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C24 109.6(6) . . ?
C25 C23 P2 112.2(5) . . ?
C24 C23 P2 110.2(5) . . ?
C25 C23 H23 108.3 . . ?
C24 C23 H23 108.3 . . ?
P2 C23 H23 108.3 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C28 110.8(6) . . ?
C27 C26 P2 110.5(4) . . ?
C28 C26 P2 116.9(5) . . ?
C27 C26 H26 105.9 . . ?
C28 C26 H26 105.9 . . ?
P2 C26 H26 105.9 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C30 109.5(6) . . ?
C31 C29 P3 117.5(5) . . ?
C30 C29 P3 111.0(4) . . ?
C31 C29 H29 106.1 . . ?
C30 C29 H29 106.1 . . ?
P3 C29 H29 106.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C34 110.2(5) . . ?
C33 C32 P3 112.0(4) . . ?
C34 C32 P3 109.6(4) . . ?
C33 C32 H32 108.3 . . ?
C34 C32 H32 108.3 . . ?
P3 C32 H32 108.3 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C37 110.5(6) . . ?
C36 C35 P3 111.2(4) . . ?
C37 C35 P3 117.3(5) . . ?
C36 C35 H35 105.6 . . ?
C37 C35 H35 105.6 . . ?
P3 C35 H35 105.6 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C40 109.9(5) . . ?
C39 C38 P4 112.9(4) . . ?
C40 C38 P4 116.9(5) . . ?
C39 C38 H38 105.4 . . ?
C40 C38 H38 105.4 . . ?
P4 C38 H38 105.4 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C43 110.0(5) . . ?
C42 C41 P4 112.3(4) . . ?
C43 C41 P4 118.8(4) . . ?
C42 C41 H41 104.8 . . ?
C43 C41 H41 104.8 . . ?
P4 C41 H41 104.8 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C46 109.1(6) . . ?
C45 C44 P4 109.4(4) . . ?
C46 C44 P4 111.8(4) . . ?
C45 C44 H44 108.8 . . ?
C46 C44 H44 108.8 . . ?
P4 C44 H44 108.8 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48A C47A H47A 109.5 . . ?
C48A C47A H47B 109.5 . . ?
H47A C47A H47B 109.5 . . ?
C48A C47A H47C 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C49A C48A C47A 124.6(18) . . ?
C49A C48A H48A 106.2 . . ?
C47A C48A H48A 106.2 . . ?
C49A C48A H48B 106.2 . . ?
C47A C48A H48B 106.2 . . ?
H48A C48A H48B 106.4 . . ?
C48A C49A C50A 128.3(16) . . ?
C48A C49A H49A 105.2 . . ?
C50A C49A H49A 105.2 . . ?
C48A C49A H49B 105.2 . . ?
C50A C49A H49B 105.2 . . ?
H49A C49A H49B 105.9 . . ?
C49A C50A C51A 119.0(17) . . ?
C49A C50A H50A 107.6 . . ?
C51A C50A H50A 107.6 . . ?
C49A C50A H50B 107.6 . . ?
C51A C50A H50B 107.6 . . ?
H50A C50A H50B 107 . . ?
C50A C51A H51A 109.5 . . ?
C50A C51A H51B 109.5 . . ?
H51A C51A H51B 109.5 . . ?
C50A C51A H51C 109.5 . . ?
H51A C51A H51C 109.5 . . ?
H51B C51A H51C 109.5 . . ?
C48B C47B H47D 109.5 . . ?
C48B C47B H47E 109.5 . . ?
H47D C47B H47E 109.5 . . ?
C48B C47B H47F 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C49B C48B C47B 116(3) . . ?
C49B C48B H48C 108.3 . . ?
C47B C48B H48C 108.3 . . ?
C49B C48B H48D 108.3 . . ?
C47B C48B H48D 108.3 . . ?
H48C C48B H48D 107.4 . . ?
C48B C49B C50B 135(4) . . ?
C48B C49B H49C 103.6 . . ?
C50B C49B H49C 103.6 . . ?
C48B C49B H49D 103.6 . . ?
C50B C49B H49D 103.6 . . ?
H49C C49B H49D 105.3 . . ?
C49B C50B C51B 114(3) . . ?
C49B C50B H50C 108.7 . . ?
C51B C50B H50C 108.7 . . ?
C49B C50B H50D 108.7 . . ?
C51B C50B H50D 108.7 . . ?
H50C C50B H50D 107.6 . . ?
C50B C51B H51D 109.5 . . ?
C50B C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
C50B C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?

# start Validation Reply Form
_vrf_PLAT910_ks2                 
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: Reflections fully or partially obscured by beam stop were 
not included in the refinement. 
;
# end Validation Reply Form


# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_ks3_03m
_database_code_depnum_ccdc_archive 'CCDC 2371931'
loop_
_audit_author_name
_audit_author_address
'Samuel Johnson'
;University of Windsor
Canada
;
_audit_update_record             
;
2024-07-18 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;

_audit_creation_date             2022-06-29T16:19:37-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C47  H117  Ni5  P5  Si'
_chemical_formula_sum            'C47 H117 Ni5 P5 Si'
_chemical_formula_weight         1158.89
_chemical_compound_source        synthesized

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
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'

_cell_length_a                   15.7736(12)
_cell_length_b                   20.5782(14)
_cell_length_c                   18.9188(13)
_cell_angle_alpha                90
_cell_angle_beta                 102.478(3)
_cell_angle_gamma                90
_cell_volume                     5995.8(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    9057
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      32.59
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_correction_T_min  0.6893
_exptl_absorpt_correction_T_max  0.7792
_shelx_estimated_absorpt_T_min   0.703
_shelx_estimated_absorpt_T_max   0.86

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0816
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_number            305888
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.516
_diffrn_reflns_theta_max         33.238
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_reflns_Friedel_coverage         0
_reflns_number_total             22941
_reflns_number_gt                17593
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0424P)²+0.5442P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         22941
_refine_ls_number_parameters     582
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.0881
_refine_ls_wR_factor_gt          0.0823
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.092

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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_
_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 . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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_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_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) . . . . ?


# start Validation Reply Form
_vrf_PLAT910_mo_ks3_03m          
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         12 Note  
RESPONSE: Reflections obscured by beamstop
;

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
