#------------------------------------------------------------------------------
#$Date: 2016-10-05 12:27:21 +0300 (Wed, 05 Oct 2016) $
#$Revision: 186939 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/67/4086715.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4086715
loop_
_publ_author_name
'Charboneau, David J.'
'Balcells, David'
'Hazari, Nilay'
'Lant, Hannah M. C.'
'Mayer, James M.'
'Melvin, Patrick R.'
'Mercado, Brandon Q.'
'Morris, Wesley D.'
'Repisky, Michal'
'Suh, Hee-Won'
_publ_section_title
;
 Dinitrogen-Facilitated Reversible Formation of a Si--H Bond in a
 Pincer-Supported Ni Complex
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              3154
_journal_paper_doi               10.1021/acs.organomet.6b00514
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety
'C37 H56 Ni P2 Si, 0.5(C6 H18 O Si2), 0.75(C5 H12)'
_chemical_formula_sum            'C43.75 H74 Ni O0.5 P2 Si2'
_chemical_formula_weight         784.86
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     SHELXT
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                97.802(3)
_cell_angle_beta                 103.322(2)
_cell_angle_gamma                108.622(2)
_cell_formula_units_Z            4
_cell_length_a                   11.9127(8)
_cell_length_b                   16.8191(12)
_cell_length_c                   24.7833(19)
_cell_measurement_reflns_used    920
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      68.3
_cell_measurement_theta_min      2.8
_cell_volume                     4459.5(6)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_molecular_graphics
; 
Dolomanov, O.V.; Bourhis, L.J.; Gildea, R.J.; Howard, J.A.K.; Puschmann, H., 
OLEX2: A complete structure solution, refinement and analysis program 
(2009). J. Appl. Cryst., 42, 339-341. 
;
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 22.2
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Rigaku Saturn 944+ CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1928
_diffrn_reflns_av_unetI/netI     0.0821
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            160185
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.220
_diffrn_reflns_theta_min         2.847
_diffrn_source                   'microfocus rotating anode'
_exptl_absorpt_coefficient_mu    2.027
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private Communication'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1706
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1004
_refine_ls_number_reflns         15859
_refine_ls_number_restraints     65
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1045
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0696P)²+2.6308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1517
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10244
_reflns_number_total             15859
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om6b00514_si_003.cif
_cod_data_source_block           '_(CyPSiP)NiH'
_cod_original_formula_sum        'C43.75 H74 Ni O0.50 P2 Si2'
_cod_database_code               4086715
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.905
_shelx_estimated_absorpt_t_max   0.961
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.27761(5) -0.00740(4) 0.24174(2) 0.02365(15) Uani 1 1 d . . . . .
H1 H 0.373(4) -0.041(3) 0.2324(16) 0.035 Uiso 1 1 d . U . . .
P1 P 0.39660(8) 0.09577(6) 0.31214(4) 0.0233(2) Uani 1 1 d . . . . .
P2 P 0.16605(8) -0.07775(6) 0.15790(4) 0.0231(2) Uani 1 1 d . . . . .
Si1 Si 0.12753(9) 0.04415(7) 0.24689(4) 0.0238(2) Uani 1 1 d . . . . .
C1 C 0.3404(3) 0.1857(2) 0.31237(14) 0.0258(8) Uani 1 1 d . . . . .
C2 C 0.4129(3) 0.2710(3) 0.34017(15) 0.0297(9) Uani 1 1 d . . . . .
H0AA H 0.4976 0.2856 0.3603 0.036 Uiso 1 1 calc R U . . .
C3 C 0.3619(4) 0.3346(3) 0.33865(16) 0.0311(9) Uani 1 1 d . . . . .
H3 H 0.4118 0.3927 0.3574 0.037 Uiso 1 1 calc R U . . .
C4 C 0.2388(4) 0.3133(3) 0.30982(15) 0.0326(9) Uani 1 1 d . . . . .
H4 H 0.2038 0.3567 0.3086 0.039 Uiso 1 1 calc R U . . .
C5 C 0.1662(3) 0.2287(2) 0.28265(15) 0.0275(8) Uani 1 1 d . . . . .
H5 H 0.0811 0.2147 0.2636 0.033 Uiso 1 1 calc R U . . .
C6 C 0.2144(3) 0.1631(2) 0.28239(14) 0.0250(8) Uani 1 1 d . . . . .
C7 C 0.0046(4) 0.0063(3) 0.28406(16) 0.0326(9) Uani 1 1 d . . . . .
H7A H -0.0363 -0.0565 0.2717 0.049 Uiso 1 1 calc R U . . .
H7B H -0.0567 0.0334 0.2743 0.049 Uiso 1 1 calc R U . . .
H7C H 0.0433 0.0224 0.3254 0.049 Uiso 1 1 calc R U . . .
C8 C 0.0325(3) 0.0264(2) 0.16976(15) 0.0239(8) Uani 1 1 d . . . . .
C9 C -0.0557(3) 0.0629(3) 0.15082(16) 0.0302(9) Uani 1 1 d . . . . .
H9 H -0.0721 0.1005 0.1776 0.036 Uiso 1 1 calc R U . . .
C10 C -0.1193(3) 0.0451(3) 0.09374(16) 0.0299(9) Uani 1 1 d . . . . .
H10 H -0.1780 0.0711 0.0816 0.036 Uiso 1 1 calc R U . . .
C11 C -0.0978(3) -0.0105(3) 0.05417(15) 0.0287(8) Uani 1 1 d . . . . .
H11 H -0.1408 -0.0218 0.0149 0.034 Uiso 1 1 calc R U . . .
C12 C -0.0144(3) -0.0493(2) 0.07162(15) 0.0281(8) Uani 1 1 d . . . . .
H12 H -0.0011 -0.0882 0.0445 0.034 Uiso 1 1 calc R U . . .
C13 C 0.0512(3) -0.0315(2) 0.12954(14) 0.0232(8) Uani 1 1 d . . . . .
C14 C 0.4112(3) 0.0754(2) 0.38459(14) 0.0262(8) Uani 1 1 d . . . . .
H14 H 0.4438 0.0276 0.3860 0.031 Uiso 1 1 calc R U . . .
C15 C 0.5006(4) 0.1508(3) 0.43332(15) 0.0354(9) Uani 1 1 d . . . . .
H15A H 0.4717 0.1999 0.4336 0.042 Uiso 1 1 calc R U . . .
H15B H 0.5837 0.1696 0.4274 0.042 Uiso 1 1 calc R U . . .
C16 C 0.5092(4) 0.1247(3) 0.49074(17) 0.0452(11) Uani 1 1 d . . . . .
H16A H 0.5457 0.0795 0.4916 0.054 Uiso 1 1 calc R U . . .
H16B H 0.5647 0.1752 0.5218 0.054 Uiso 1 1 calc R U . . .
C17 C 0.3839(5) 0.0914(4) 0.50065(18) 0.0534(13) Uani 1 1 d . . . . .
H17A H 0.3521 0.1389 0.5047 0.064 Uiso 1 1 calc R U . . .
H17B H 0.3924 0.0713 0.5366 0.064 Uiso 1 1 calc R U . . .
C18 C 0.2921(4) 0.0179(3) 0.45210(18) 0.0441(11) Uani 1 1 d . . . . .
H18A H 0.2094 0.0014 0.4583 0.053 Uiso 1 1 calc R U . . .
H18B H 0.3177 -0.0326 0.4517 0.053 Uiso 1 1 calc R U . . .
C19 C 0.2840(4) 0.0427(3) 0.39469(16) 0.0328(9) Uani 1 1 d . . . . .
H19A H 0.2479 0.0881 0.3933 0.039 Uiso 1 1 calc R U . . .
H19B H 0.2282 -0.0082 0.3639 0.039 Uiso 1 1 calc R U . . .
C20 C 0.5596(3) 0.1435(3) 0.31152(15) 0.0285(8) Uani 1 1 d . . . . .
H20 H 0.6020 0.1969 0.3426 0.034 Uiso 1 1 calc R U . . .
C21 C 0.6289(4) 0.0828(3) 0.32194(18) 0.0359(9) Uani 1 1 d . . . . .
H21A H 0.5836 0.0273 0.2936 0.043 Uiso 1 1 calc R U . . .
H21B H 0.6321 0.0712 0.3603 0.043 Uiso 1 1 calc R U . . .
C22 C 0.7601(4) 0.1201(3) 0.31776(19) 0.0447(11) Uani 1 1 d . . . . .
H22A H 0.8084 0.1718 0.3491 0.054 Uiso 1 1 calc R U . . .
H22B H 0.8002 0.0772 0.3223 0.054 Uiso 1 1 calc R U . . .
C23 C 0.7617(4) 0.1447(3) 0.2611(2) 0.0482(12) Uani 1 1 d . . . . .
H23A H 0.8484 0.1718 0.2607 0.058 Uiso 1 1 calc R U . . .
H23B H 0.7210 0.0922 0.2299 0.058 Uiso 1 1 calc R U . . .
C24 C 0.6955(4) 0.2061(3) 0.2517(2) 0.0445(11) Uani 1 1 d . . . . .
H24A H 0.6944 0.2194 0.2139 0.053 Uiso 1 1 calc R U . . .
H24B H 0.7410 0.2606 0.2809 0.053 Uiso 1 1 calc R U . . .
C25 C 0.5631(4) 0.1689(3) 0.25459(17) 0.0340(9) Uani 1 1 d . . . . .
H25A H 0.5153 0.1176 0.2230 0.041 Uiso 1 1 calc R U . . .
H25B H 0.5237 0.2122 0.2499 0.041 Uiso 1 1 calc R U . . .
C26 C 0.0813(4) -0.1926(2) 0.15203(16) 0.0297(9) Uani 1 1 d . . . . .
H26 H 0.1459 -0.2177 0.1649 0.036 Uiso 1 1 calc R U . . .
C27 C 0.0048(4) -0.2035(3) 0.19413(17) 0.0345(9) Uani 1 1 d . . . . .
H27A H 0.0591 -0.1712 0.2328 0.041 Uiso 1 1 calc R U . . .
H27B H -0.0603 -0.1790 0.1836 0.041 Uiso 1 1 calc R U . . .
C28 C -0.0553(4) -0.2974(3) 0.1949(2) 0.0441(11) Uani 1 1 d . . . . .
H28A H -0.1090 -0.3020 0.2203 0.053 Uiso 1 1 calc R U . . .
H28B H 0.0099 -0.3198 0.2105 0.053 Uiso 1 1 calc R U . . .
C29 C -0.1320(4) -0.3519(3) 0.1359(2) 0.0425(11) Uani 1 1 d . . . . .
H29A H -0.2042 -0.3350 0.1226 0.051 Uiso 1 1 calc R U . . .
H29B H -0.1636 -0.4132 0.1377 0.051 Uiso 1 1 calc R U . . .
C30 C -0.0571(4) -0.3415(3) 0.0935(2) 0.0438(11) Uani 1 1 d . . . . .
H30A H 0.0084 -0.3657 0.1039 0.053 Uiso 1 1 calc R U . . .
H30B H -0.1119 -0.3742 0.0550 0.053 Uiso 1 1 calc R U . . .
C31 C 0.0022(4) -0.2474(3) 0.09242(17) 0.0363(10) Uani 1 1 d . . . . .
H31A H -0.0634 -0.2251 0.0775 0.044 Uiso 1 1 calc R U . . .
H31B H 0.0548 -0.2427 0.0665 0.044 Uiso 1 1 calc R U . . .
C32 C 0.2484(3) -0.0769(2) 0.10294(14) 0.0255(8) Uani 1 1 d . . . . .
H32 H 0.1850 -0.1043 0.0650 0.031 Uiso 1 1 calc R U . . .
C33 C 0.3191(3) 0.0168(3) 0.10296(16) 0.0303(9) Uani 1 1 d . . . . .
H33A H 0.2594 0.0458 0.0928 0.036 Uiso 1 1 calc R U . . .
H33B H 0.3746 0.0471 0.1417 0.036 Uiso 1 1 calc R U . . .
C34 C 0.3955(4) 0.0231(3) 0.06114(18) 0.0427(11) Uani 1 1 d . . . . .
H34A H 0.4452 0.0843 0.0648 0.051 Uiso 1 1 calc R U . . .
H34B H 0.3393 0.0000 0.0218 0.051 Uiso 1 1 calc R U . . .
C35 C 0.4820(4) -0.0275(4) 0.0723(2) 0.0546(14) Uani 1 1 d . . . . .
H35A H 0.5288 -0.0241 0.0439 0.066 Uiso 1 1 calc R U . . .
H35B H 0.5422 -0.0020 0.1106 0.066 Uiso 1 1 calc R U . . .
C36 C 0.4070(5) -0.1210(4) 0.06835(19) 0.0550(14) Uani 1 1 d . . . . .
H36A H 0.4634 -0.1532 0.0757 0.066 Uiso 1 1 calc R U . . .
H36B H 0.3495 -0.1471 0.0295 0.066 Uiso 1 1 calc R U . . .
C37 C 0.3334(4) -0.1276(3) 0.11163(17) 0.0349(9) Uani 1 1 d . . . . .
H37A H 0.2835 -0.1889 0.1078 0.042 Uiso 1 1 calc R U . . .
H37B H 0.3915 -0.1054 0.1506 0.042 Uiso 1 1 calc R U . . .
Ni2 Ni 0.11903(6) 0.45814(4) 0.25020(2) 0.02646(16) Uani 1 1 d D . . . .
H2 H 0.018(3) 0.387(2) 0.2591(17) 0.040 Uiso 1 1 d D U . . .
P3 P 0.08882(8) 0.40191(6) 0.16297(4) 0.0227(2) Uani 1 1 d . . . . .
P4 P 0.12512(10) 0.54083(7) 0.32491(4) 0.0341(2) Uani 1 1 d . . . . .
Si2 Si 0.26807(10) 0.57073(7) 0.23927(4) 0.0308(2) Uani 1 1 d . . . . .
C38 C 0.1486(3) 0.4846(2) 0.12491(15) 0.0240(8) Uani 1 1 d . . . . .
C39 C 0.1174(3) 0.4722(3) 0.06548(15) 0.0281(8) Uani 1 1 d . . . . .
H39 H 0.0626 0.4177 0.0421 0.034 Uiso 1 1 calc R U . . .
C40 C 0.1660(3) 0.5393(3) 0.04067(16) 0.0301(9) Uani 1 1 d . . . . .
H40 H 0.1444 0.5308 0.0004 0.036 Uiso 1 1 calc R U . . .
C41 C 0.2466(4) 0.6191(3) 0.07478(16) 0.0331(9) Uani 1 1 d . . . . .
H41 H 0.2807 0.6650 0.0579 0.040 Uiso 1 1 calc R U . . .
C42 C 0.2770(4) 0.6313(3) 0.13338(17) 0.0339(9) Uani 1 1 d . . . . .
H42 H 0.3328 0.6859 0.1564 0.041 Uiso 1 1 calc R U . . .
C43 C 0.2279(3) 0.5657(2) 0.15952(15) 0.0268(8) Uani 1 1 d . . . . .
C44 C 0.4393(4) 0.5897(3) 0.25845(19) 0.0460(11) Uani 1 1 d . . . . .
H44A H 0.4712 0.5955 0.2995 0.069 Uiso 1 1 calc R U . . .
H44B H 0.4834 0.6426 0.2481 0.069 Uiso 1 1 calc R U . . .
H44C H 0.4518 0.5408 0.2377 0.069 Uiso 1 1 calc R U . . .
C45 C 0.2532(4) 0.6693(3) 0.28031(15) 0.0329(9) Uani 1 1 d . . . . .
C46 C 0.3049(4) 0.7549(3) 0.27611(17) 0.0407(11) Uani 1 1 d . . . . .
H46 H 0.3536 0.7675 0.2508 0.049 Uiso 1 1 calc R U . . .
C47 C 0.2866(5) 0.8213(3) 0.30799(19) 0.0483(12) Uani 1 1 d . . . . .
H47 H 0.3221 0.8788 0.3042 0.058 Uiso 1 1 calc R U . . .
C48 C 0.2167(5) 0.8039(3) 0.34517(19) 0.0499(12) Uani 1 1 d . . . . .
H48 H 0.2032 0.8493 0.3667 0.060 Uiso 1 1 calc R U . . .
C49 C 0.1663(4) 0.7205(3) 0.35118(17) 0.0416(11) Uani 1 1 d . . . . .
H49 H 0.1192 0.7089 0.3773 0.050 Uiso 1 1 calc R U . . .
C50 C 0.1844(4) 0.6528(3) 0.31893(16) 0.0339(9) Uani 1 1 d . . . . .
C51 C 0.1608(3) 0.3214(2) 0.15129(15) 0.0254(8) Uani 1 1 d . . . . .
H51 H 0.1268 0.2760 0.1715 0.030 Uiso 1 1 calc R U . . .
C52 C 0.1352(3) 0.2746(3) 0.08962(16) 0.0304(9) Uani 1 1 d . . . . .
H52A H 0.0447 0.2459 0.0719 0.036 Uiso 1 1 calc R U . . .
H52B H 0.1674 0.3170 0.0677 0.036 Uiso 1 1 calc R U . . .
C53 C 0.1957(4) 0.2080(3) 0.08705(18) 0.0370(10) Uani 1 1 d . . . . .
H53A H 0.1807 0.1808 0.0467 0.044 Uiso 1 1 calc R U . . .
H53B H 0.1574 0.1624 0.1057 0.044 Uiso 1 1 calc R U . . .
C54 C 0.3346(4) 0.2478(3) 0.11627(19) 0.0384(10) Uani 1 1 d . . . . .
H54A H 0.3700 0.2020 0.1160 0.046 Uiso 1 1 calc R U . . .
H54B H 0.3744 0.2886 0.0949 0.046 Uiso 1 1 calc R U . . .
C55 C 0.3622(4) 0.2952(3) 0.17729(19) 0.0385(10) Uani 1 1 d . . . . .
H55A H 0.3320 0.2531 0.1998 0.046 Uiso 1 1 calc R U . . .
H55B H 0.4529 0.3242 0.1942 0.046 Uiso 1 1 calc R U . . .
C56 C 0.3012(3) 0.3614(3) 0.18054(16) 0.0301(9) Uani 1 1 d . . . . .
H56A H 0.3391 0.4075 0.1621 0.036 Uiso 1 1 calc R U . . .
H56B H 0.3165 0.3880 0.2210 0.036 Uiso 1 1 calc R U . . .
C57 C -0.0742(3) 0.3469(2) 0.11954(14) 0.0244(8) Uani 1 1 d . . . . .
H57 H -0.0750 0.3287 0.0793 0.029 Uiso 1 1 calc R U . . .
C58 C -0.1391(3) 0.2660(3) 0.13849(16) 0.0293(8) Uani 1 1 d . . . . .
H58A H -0.0952 0.2254 0.1352 0.035 Uiso 1 1 calc R U . . .
H58B H -0.1354 0.2819 0.1790 0.035 Uiso 1 1 calc R U . . .
C59 C -0.2742(4) 0.2217(3) 0.10256(17) 0.0405(11) Uani 1 1 d . . . . .
H59A H -0.2775 0.1997 0.0629 0.049 Uiso 1 1 calc R U . . .
H59B H -0.3146 0.1720 0.1175 0.049 Uiso 1 1 calc R U . . .
C60 C -0.3443(4) 0.2827(3) 0.1030(2) 0.0460(12) Uani 1 1 d . . . . .
H60A H -0.3505 0.2989 0.1418 0.055 Uiso 1 1 calc R U . . .
H60B H -0.4293 0.2533 0.0769 0.055 Uiso 1 1 calc R U . . .
C61 C -0.2790(4) 0.3640(3) 0.0845(2) 0.0465(12) Uani 1 1 d . . . . .
H61A H -0.2820 0.3485 0.0440 0.056 Uiso 1 1 calc R U . . .
H61B H -0.3231 0.4045 0.0878 0.056 Uiso 1 1 calc R U . . .
C62 C -0.1451(4) 0.4077(3) 0.12062(17) 0.0327(9) Uani 1 1 d . . . . .
H62A H -0.1425 0.4286 0.1604 0.039 Uiso 1 1 calc R U . . .
H62B H -0.1045 0.4583 0.1063 0.039 Uiso 1 1 calc R U . . .
C64 C 0.3606(5) 0.5588(3) 0.38898(18) 0.0506(13) Uani 1 1 d . . . . .
H64A H 0.3913 0.6163 0.3804 0.061 Uiso 1 1 calc R U . . .
H64B H 0.3579 0.5158 0.3568 0.061 Uiso 1 1 calc R U . . .
C65 C 0.4519(6) 0.5567(4) 0.4432(2) 0.0747(19) Uani 1 1 d . . . . .
H65A H 0.4263 0.4980 0.4504 0.090 Uiso 1 1 calc R U . . .
H65B H 0.5358 0.5717 0.4383 0.090 Uiso 1 1 calc R U . . .
C66 C 0.4542(7) 0.6206(4) 0.4933(2) 0.0733(19) Uani 1 1 d . . . . .
H66A H 0.5129 0.6190 0.5283 0.088 Uiso 1 1 calc R U . . .
H66B H 0.4834 0.6795 0.4867 0.088 Uiso 1 1 calc R U . . .
C67 C 0.3283(7) 0.5997(4) 0.50120(18) 0.074(2) Uani 1 1 d . . . . .
H67A H 0.3320 0.6421 0.5341 0.089 Uiso 1 1 calc R U . . .
H67B H 0.3009 0.5419 0.5096 0.089 Uiso 1 1 calc R U . . .
C68 C 0.2315(5) 0.6015(3) 0.44641(17) 0.0559(14) Uani 1 1 d . . . . .
H68A H 0.1480 0.5837 0.4518 0.067 Uiso 1 1 calc R U . . .
H68B H 0.2534 0.6609 0.4404 0.067 Uiso 1 1 calc R U . . .
C69 C 0.2300(5) 0.5403(3) 0.39368(16) 0.0488(13) Uani 1 1 d . . . . .
H69 H 0.1996 0.4805 0.3998 0.059 Uiso 1 1 calc R U . . .
C70 C -0.0260(5) 0.5271(3) 0.33866(19) 0.0487(12) Uani 1 1 d . . . . .
H70 H -0.0122 0.5758 0.3705 0.058 Uiso 1 1 calc R U . . .
C71 C -0.0793(5) 0.4432(3) 0.3567(2) 0.0607(15) Uani 1 1 d . . . . .
H71A H -0.0851 0.3942 0.3277 0.073 Uiso 1 1 calc R U . . .
H71B H -0.0228 0.4440 0.3932 0.073 Uiso 1 1 calc R U . . .
C72 C -0.2069(7) 0.4303(4) 0.3638(3) 0.092(3) Uani 1 1 d . . . . .
H72A H -0.1987 0.4741 0.3970 0.110 Uiso 1 1 calc R U . . .
H72B H -0.2417 0.3728 0.3718 0.110 Uiso 1 1 calc R U . . .
C73 C -0.2970(7) 0.4373(5) 0.3111(4) 0.102(3) Uani 1 1 d . . . . .
H73A H -0.3140 0.3891 0.2789 0.122 Uiso 1 1 calc R U . . .
H73B H -0.3762 0.4329 0.3190 0.122 Uiso 1 1 calc R U . . .
C74 C -0.2429(6) 0.5220(4) 0.2953(4) 0.086(2) Uani 1 1 d . . . . .
H74A H -0.2339 0.5699 0.3259 0.103 Uiso 1 1 calc R U . . .
H74B H -0.2998 0.5240 0.2599 0.103 Uiso 1 1 calc R U . . .
C75 C -0.1166(5) 0.5329(4) 0.2864(2) 0.0576(14) Uani 1 1 d . . . . .
H75A H -0.1271 0.4877 0.2536 0.069 Uiso 1 1 calc R U . . .
H75B H -0.0820 0.5895 0.2773 0.069 Uiso 1 1 calc R U . . .
Si2A Si -0.1668(8) 0.8376(4) 0.4092(3) 0.0541(14) Uani 0.5 1 d . . P A 1
Si3A Si -0.0357(15) 0.7624(10) 0.5069(5) 0.078(4) Uani 0.5 1 d . . P A 1
O1A O -0.1170(7) 0.8229(5) 0.4722(3) 0.0626(19) Uani 0.5 1 d . . P A 1
C77A C -0.150(3) 0.9497(17) 0.4125(11) 0.086(7) Uani 0.5 1 d . . P A 1
H77D H -0.2018 0.9646 0.4343 0.129 Uiso 0.5 1 calc R U P A 1
H77E H -0.1748 0.9581 0.3739 0.129 Uiso 0.5 1 calc R U P A 1
H77F H -0.0628 0.9867 0.4312 0.129 Uiso 0.5 1 calc R U P A 1
C78A C -0.3311(19) 0.7735(13) 0.3770(8) 0.082(6) Uani 0.5 1 d . . P A 1
H78D H -0.3427 0.7123 0.3679 0.122 Uiso 0.5 1 calc R U P A 1
H78E H -0.3619 0.7908 0.3421 0.122 Uiso 0.5 1 calc R U P A 1
H78F H -0.3771 0.7829 0.4038 0.122 Uiso 0.5 1 calc R U P A 1
C79A C -0.0766(14) 0.8076(10) 0.3633(6) 0.076(4) Uani 0.5 1 d . . P A 1
H79D H 0.0121 0.8362 0.3830 0.113 Uiso 0.5 1 calc R U P A 1
H79E H -0.0962 0.8257 0.3275 0.113 Uiso 0.5 1 calc R U P A 1
H79F H -0.0981 0.7450 0.3553 0.113 Uiso 0.5 1 calc R U P A 1
C80A C 0.118(3) 0.810(2) 0.5176(15) 0.090(8) Uani 0.5 1 d . . P A 1
H80D H 0.1364 0.8045 0.4809 0.134 Uiso 0.5 1 calc R U P A 1
H80E H 0.1623 0.7812 0.5419 0.134 Uiso 0.5 1 calc R U P A 1
H80F H 0.1459 0.8707 0.5361 0.134 Uiso 0.5 1 calc R U P A 1
C81A C -0.0784(19) 0.8156(15) 0.5596(7) 0.101(7) Uani 0.5 1 d . . P A 1
H81D H -0.0524 0.8771 0.5596 0.152 Uiso 0.5 1 calc R U P A 1
H81E H -0.0381 0.8083 0.5968 0.152 Uiso 0.5 1 calc R U P A 1
H81F H -0.1685 0.7913 0.5520 0.152 Uiso 0.5 1 calc R U P A 1
C82A C -0.094(2) 0.6488(16) 0.4918(15) 0.134(13) Uani 0.5 1 d . . P A 1
H82D H -0.1329 0.6290 0.5206 0.201 Uiso 0.5 1 calc R U P A 1
H82E H -0.0255 0.6281 0.4921 0.201 Uiso 0.5 1 calc R U P A 1
H82F H -0.1550 0.6263 0.4541 0.201 Uiso 0.5 1 calc R U P A 1
Si2B Si -0.1650(8) 0.8076(5) 0.3976(3) 0.0651(17) Uani 0.5 1 d . U P B 2
Si3B Si -0.0548(17) 0.7663(11) 0.5107(6) 0.078(3) Uani 0.5 1 d . U P B 2
O1B O -0.0673(9) 0.7839(8) 0.4450(4) 0.102(3) Uani 0.5 1 d . U P B 2
C78B C -0.3251(18) 0.7440(15) 0.3943(9) 0.081(5) Uani 0.5 1 d . U P B 2
H78A H -0.3419 0.6827 0.3805 0.121 Uiso 0.5 1 calc R U P B 2
H78B H -0.3827 0.7620 0.3683 0.121 Uiso 0.5 1 calc R U P B 2
H78C H -0.3359 0.7535 0.4324 0.121 Uiso 0.5 1 calc R U P B 2
C79B C -0.1388(14) 0.7784(10) 0.3288(6) 0.072(3) Uani 0.5 1 d . U P B 2
H79A H -0.0538 0.8125 0.3304 0.108 Uiso 0.5 1 calc R U P B 2
H79B H -0.1971 0.7901 0.2989 0.108 Uiso 0.5 1 calc R U P B 2
H79C H -0.1515 0.7170 0.3204 0.108 Uiso 0.5 1 calc R U P B 2
C80B C 0.129(3) 0.784(2) 0.5240(13) 0.099(9) Uani 0.5 1 d . U P B 2
H80A H 0.1404 0.7576 0.4891 0.149 Uiso 0.5 1 calc R U P B 2
H80B H 0.1551 0.7575 0.5549 0.149 Uiso 0.5 1 calc R U P B 2
H80C H 0.1778 0.8460 0.5343 0.149 Uiso 0.5 1 calc R U P B 2
C81B C -0.0885(17) 0.7871(13) 0.5818(6) 0.072(4) Uani 0.5 1 d . U P B 2
H81A H -0.0551 0.8492 0.5982 0.107 Uiso 0.5 1 calc R U P B 2
H81B H -0.0494 0.7582 0.6078 0.107 Uiso 0.5 1 calc R U P B 2
H81C H -0.1781 0.7645 0.5758 0.107 Uiso 0.5 1 calc R U P B 2
C82B C -0.147(3) 0.6492(18) 0.4832(12) 0.128(8) Uani 0.5 1 d . U P B 2
H82A H -0.2320 0.6376 0.4849 0.192 Uiso 0.5 1 calc R U P B 2
H82B H -0.1097 0.6165 0.5066 0.192 Uiso 0.5 1 calc R U P B 2
H82C H -0.1479 0.6318 0.4437 0.192 Uiso 0.5 1 calc R U P B 2
C77B C -0.124(2) 0.9301(15) 0.4196(11) 0.075(5) Uani 0.5 1 d . U P B 2
H77A H -0.0634 0.9529 0.4574 0.113 Uiso 0.5 1 calc R U P B 2
H77B H -0.1992 0.9418 0.4208 0.113 Uiso 0.5 1 calc R U P B 2
H77C H -0.0891 0.9580 0.3919 0.113 Uiso 0.5 1 calc R U P B 2
C83 C 0.6411(6) 0.7650(6) 0.0414(3) 0.100(3) Uani 1 1 d . . . . .
H83A H 0.6668 0.7152 0.0423 0.150 Uiso 1 1 calc R U . . .
H83B H 0.6767 0.7978 0.0157 0.150 Uiso 1 1 calc R U . . .
H83C H 0.5506 0.7451 0.0278 0.150 Uiso 1 1 calc R U . . .
C84 C 0.6849(5) 0.8199(4) 0.0986(3) 0.0702(17) Uani 1 1 d . . . . .
H84A H 0.7759 0.8363 0.1127 0.084 Uiso 1 1 calc R U . . .
H84B H 0.6680 0.8735 0.0962 0.084 Uiso 1 1 calc R U . . .
C85 C 0.6301(5) 0.7816(5) 0.1399(3) 0.085(2) Uani 1 1 d . . . . .
H85C H 0.6182 0.7200 0.1287 0.102 Uiso 0.5 1 calc R U P C 2
H85D H 0.5458 0.7836 0.1296 0.102 Uiso 0.5 1 calc R U P C 2
H85A H 0.6647 0.7390 0.1532 0.102 Uiso 0.5 1 calc R U P D 1
H85B H 0.5387 0.7547 0.1252 0.102 Uiso 0.5 1 calc R U P D 1
C86A C 0.6780(11) 0.8742(9) 0.1916(6) 0.074(4) Uani 0.5 1 d . . P E 1
H86A H 0.7694 0.8956 0.2066 0.089 Uiso 0.5 1 calc R U P E 1
H86B H 0.6558 0.9185 0.1738 0.089 Uiso 0.5 1 calc R U P E 1
C86B C 0.6672(10) 0.8001(8) 0.2026(5) 0.060(3) Uani 0.5 1 d . . P E 2
H86C H 0.6297 0.7462 0.2143 0.072 Uiso 0.5 1 calc R U P E 2
H86D H 0.7582 0.8167 0.2164 0.072 Uiso 0.5 1 calc R U P E 2
C87 C 0.6348(9) 0.8666(7) 0.2314(4) 0.126(4) Uani 1 1 d . . . . .
H87D H 0.5566 0.8401 0.2399 0.190 Uiso 0.5 1 calc R U P E 2
H87E H 0.6253 0.9064 0.2068 0.190 Uiso 0.5 1 calc R U P E 2
H87F H 0.7004 0.8982 0.2670 0.190 Uiso 0.5 1 calc R U P E 2
H87A H 0.5446 0.8499 0.2176 0.190 Uiso 0.5 1 calc R U P E 1
H87B H 0.6701 0.9215 0.2596 0.190 Uiso 0.5 1 calc R U P E 1
H87C H 0.6547 0.8221 0.2490 0.190 Uiso 0.5 1 calc R U P E 1
C88 C 0.5305(14) 0.5227(10) 0.1149(8) 0.099(5) Uani 0.5 1 d D . P F -1
H88A H 0.5145 0.4935 0.1455 0.148 Uiso 0.5 1 calc R U P F -1
H88B H 0.6148 0.5310 0.1132 0.148 Uiso 0.5 1 calc R U P F -1
H88C H 0.5217 0.5788 0.1224 0.148 Uiso 0.5 1 calc R U P F -1
C89 C 0.4503(9) 0.4751(8) 0.0658(4) 0.128(4) Uani 1 1 d D . . . .
H89A H 0.3780 0.4792 0.0767 0.192 Uiso 1 1 calc R U . F -2
H89B H 0.4471 0.4156 0.0615 0.192 Uiso 1 1 calc R U . F -2
H89C H 0.5261 0.5133 0.0952 0.192 Uiso 0.5 1 calc R U P F -2
C90 C 0.4496(8) 0.5014(7) 0.0107(4) 0.128(4) Uani 1 1 d D . . . .
H90A H 0.3712 0.4635 -0.0182 0.154 Uiso 1 1 calc R U . . .
H90B H 0.4500 0.5609 0.0154 0.154 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
P1 Ni1 P2 161.76(5) .
P1 Ni1 Si1 87.20(4) .
P2 Ni1 Si1 87.30(4) .
P1 Ni1 H1 96.2(16) .
P2 Ni1 H1 88.1(15) .
Si1 Ni1 H1 174.4(15) .
C1 P1 C14 104.85(16) .
C1 P1 C20 104.53(17) .
C14 P1 C20 103.42(16) .
C1 P1 Ni1 109.07(12) .
C14 P1 Ni1 117.89(13) .
C20 P1 Ni1 115.78(12) .
C13 P2 C26 107.12(17) .
C13 P2 C32 102.55(16) .
C26 P2 C32 104.44(17) .
C13 P2 Ni1 111.14(12) .
C26 P2 Ni1 114.62(13) .
C32 P2 Ni1 115.92(12) .
C7 Si1 C6 104.96(17) .
C7 Si1 C8 103.03(16) .
C6 Si1 C8 112.39(16) .
C7 Si1 Ni1 126.92(14) .
C6 Si1 Ni1 104.17(11) .
C8 Si1 Ni1 105.42(12) .
C2 C1 C6 120.4(3) .
C2 C1 P1 124.3(3) .
C6 C1 P1 115.3(3) .
C3 C2 C1 120.3(4) .
C3 C2 H0AA 119.8 .
C1 C2 H0AA 119.8 .
C4 C3 C2 119.9(4) .
C4 C3 H3 120.1 .
C2 C3 H3 120.1 .
C3 C4 C5 120.0(4) .
C3 C4 H4 120.0 .
C5 C4 H4 120.0 .
C4 C5 C6 121.9(4) .
C4 C5 H5 119.1 .
C6 C5 H5 119.1 .
C5 C6 C1 117.6(3) .
C5 C6 Si1 127.0(3) .
C1 C6 Si1 115.4(3) .
Si1 C7 H7A 109.5 .
Si1 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
Si1 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C9 C8 C13 118.2(3) .
C9 C8 Si1 126.1(3) .
C13 C8 Si1 115.6(3) .
C10 C9 C8 121.0(4) .
C10 C9 H9 119.5 .
C8 C9 H9 119.5 .
C9 C10 C11 120.2(3) .
C9 C10 H10 119.9 .
C11 C10 H10 119.9 .
C12 C11 C10 120.1(3) .
C12 C11 H11 119.9 .
C10 C11 H11 119.9 .
C11 C12 C13 120.2(3) .
C11 C12 H12 119.9 .
C13 C12 H12 119.9 .
C8 C13 C12 120.1(3) .
C8 C13 P2 115.5(2) .
C12 C13 P2 124.3(3) .
C15 C14 C19 110.1(3) .
C15 C14 P1 115.6(3) .
C19 C14 P1 110.7(2) .
C15 C14 H14 106.6 .
C19 C14 H14 106.6 .
P1 C14 H14 106.6 .
C14 C15 C16 110.7(3) .
C14 C15 H15A 109.5 .
C16 C15 H15A 109.5 .
C14 C15 H15B 109.5 .
C16 C15 H15B 109.5 .
H15A C15 H15B 108.1 .
C17 C16 C15 111.7(4) .
C17 C16 H16A 109.3 .
C15 C16 H16A 109.3 .
C17 C16 H16B 109.3 .
C15 C16 H16B 109.3 .
H16A C16 H16B 107.9 .
C16 C17 C18 111.6(4) .
C16 C17 H17A 109.3 .
C18 C17 H17A 109.3 .
C16 C17 H17B 109.3 .
C18 C17 H17B 109.3 .
H17A C17 H17B 108.0 .
C17 C18 C19 111.7(4) .
C17 C18 H18A 109.3 .
C19 C18 H18A 109.3 .
C17 C18 H18B 109.3 .
C19 C18 H18B 109.3 .
H18A C18 H18B 107.9 .
C18 C19 C14 111.8(3) .
C18 C19 H19A 109.3 .
C14 C19 H19A 109.3 .
C18 C19 H19B 109.3 .
C14 C19 H19B 109.3 .
H19A C19 H19B 107.9 .
C21 C20 C25 110.3(3) .
C21 C20 P1 112.1(3) .
C25 C20 P1 109.7(2) .
C21 C20 H20 108.2 .
C25 C20 H20 108.2 .
P1 C20 H20 108.2 .
C20 C21 C22 111.8(4) .
C20 C21 H21A 109.3 .
C22 C21 H21A 109.3 .
C20 C21 H21B 109.3 .
C22 C21 H21B 109.3 .
H21A C21 H21B 107.9 .
C23 C22 C21 111.8(4) .
C23 C22 H22A 109.3 .
C21 C22 H22A 109.3 .
C23 C22 H22B 109.3 .
C21 C22 H22B 109.3 .
H22A C22 H22B 107.9 .
C24 C23 C22 110.4(4) .
C24 C23 H23A 109.6 .
C22 C23 H23A 109.6 .
C24 C23 H23B 109.6 .
C22 C23 H23B 109.6 .
H23A C23 H23B 108.1 .
C23 C24 C25 111.7(4) .
C23 C24 H24A 109.3 .
C25 C24 H24A 109.3 .
C23 C24 H24B 109.3 .
C25 C24 H24B 109.3 .
H24A C24 H24B 107.9 .
C24 C25 C20 111.3(3) .
C24 C25 H25A 109.4 .
C20 C25 H25A 109.4 .
C24 C25 H25B 109.4 .
C20 C25 H25B 109.4 .
H25A C25 H25B 108.0 .
C27 C26 C31 110.6(3) .
C27 C26 P2 110.5(3) .
C31 C26 P2 117.1(3) .
C27 C26 H26 105.9 .
C31 C26 H26 105.9 .
P2 C26 H26 105.9 .
C28 C27 C26 111.8(3) .
C28 C27 H27A 109.3 .
C26 C27 H27A 109.3 .
C28 C27 H27B 109.3 .
C26 C27 H27B 109.3 .
H27A C27 H27B 107.9 .
C27 C28 C29 111.8(4) .
C27 C28 H28A 109.3 .
C29 C28 H28A 109.3 .
C27 C28 H28B 109.3 .
C29 C28 H28B 109.3 .
H28A C28 H28B 107.9 .
C28 C29 C30 111.8(3) .
C28 C29 H29A 109.3 .
C30 C29 H29A 109.3 .
C28 C29 H29B 109.3 .
C30 C29 H29B 109.3 .
H29A C29 H29B 107.9 .
C31 C30 C29 111.5(4) .
C31 C30 H30A 109.3 .
C29 C30 H30A 109.3 .
C31 C30 H30B 109.3 .
C29 C30 H30B 109.3 .
H30A C30 H30B 108.0 .
C30 C31 C26 111.4(3) .
C30 C31 H31A 109.3 .
C26 C31 H31A 109.3 .
C30 C31 H31B 109.3 .
C26 C31 H31B 109.3 .
H31A C31 H31B 108.0 .
C37 C32 C33 111.7(3) .
C37 C32 P2 112.2(3) .
C33 C32 P2 108.6(2) .
C37 C32 H32 108.0 .
C33 C32 H32 108.0 .
P2 C32 H32 108.0 .
C34 C33 C32 111.9(3) .
C34 C33 H33A 109.2 .
C32 C33 H33A 109.2 .
C34 C33 H33B 109.2 .
C32 C33 H33B 109.2 .
H33A C33 H33B 107.9 .
C33 C34 C35 111.0(3) .
C33 C34 H34A 109.4 .
C35 C34 H34A 109.4 .
C33 C34 H34B 109.4 .
C35 C34 H34B 109.4 .
H34A C34 H34B 108.0 .
C36 C35 C34 109.9(4) .
C36 C35 H35A 109.7 .
C34 C35 H35A 109.7 .
C36 C35 H35B 109.7 .
C34 C35 H35B 109.7 .
H35A C35 H35B 108.2 .
C35 C36 C37 110.5(4) .
C35 C36 H36A 109.6 .
C37 C36 H36A 109.6 .
C35 C36 H36B 109.6 .
C37 C36 H36B 109.6 .
H36A C36 H36B 108.1 .
C32 C37 C36 111.4(4) .
C32 C37 H37A 109.4 .
C36 C37 H37A 109.4 .
C32 C37 H37B 109.4 .
C36 C37 H37B 109.4 .
H37A C37 H37B 108.0 .
P4 Ni2 P3 161.81(5) .
P4 Ni2 Si2 86.99(5) .
P3 Ni2 Si2 86.50(4) .
P4 Ni2 H2 90.1(16) .
P3 Ni2 H2 95.8(16) .
Si2 Ni2 H2 176.7(16) .
C38 P3 C51 106.43(16) .
C38 P3 C57 102.69(16) .
C51 P3 C57 104.25(16) .
C38 P3 Ni2 111.02(12) .
C51 P3 Ni2 115.07(12) .
C57 P3 Ni2 116.21(12) .
C50 P4 C70 104.2(2) .
C50 P4 C69 103.66(19) .
C70 P4 C69 105.3(2) .
C50 P4 Ni2 109.41(13) .
C70 P4 Ni2 116.09(15) .
C69 P4 Ni2 116.81(16) .
C44 Si2 C45 106.4(2) .
C44 Si2 C43 102.26(18) .
C45 Si2 C43 111.48(17) .
C44 Si2 Ni2 126.16(16) .
C45 Si2 Ni2 104.79(13) .
C43 Si2 Ni2 105.54(12) .
C39 C38 C43 120.0(3) .
C39 C38 P3 124.6(3) .
C43 C38 P3 115.4(3) .
C40 C39 C38 120.3(4) .
C40 C39 H39 119.9 .
C38 C39 H39 119.9 .
C39 C40 C41 119.9(3) .
C39 C40 H40 120.0 .
C41 C40 H40 120.0 .
C42 C41 C40 119.8(4) .
C42 C41 H41 120.1 .
C40 C41 H41 120.1 .
C41 C42 C43 121.6(4) .
C41 C42 H42 119.2 .
C43 C42 H42 119.2 .
C42 C43 C38 118.4(3) .
C42 C43 Si2 126.4(3) .
C38 C43 Si2 115.0(3) .
Si2 C44 H44A 109.5 .
Si2 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
Si2 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
C50 C45 C46 118.0(4) .
C50 C45 Si2 115.1(3) .
C46 C45 Si2 126.9(3) .
C47 C46 C45 121.6(4) .
C47 C46 H46 119.2 .
C45 C46 H46 119.2 .
C48 C47 C46 119.8(4) .
C48 C47 H47 120.1 .
C46 C47 H47 120.1 .
C47 C48 C49 120.2(5) .
C47 C48 H48 119.9 .
C49 C48 H48 119.9 .
C48 C49 C50 120.3(4) .
C48 C49 H49 119.8 .
C50 C49 H49 119.8 .
C45 C50 C49 120.2(4) .
C45 C50 P4 116.0(3) .
C49 C50 P4 123.8(3) .
C52 C51 C56 109.9(3) .
C52 C51 P3 117.4(3) .
C56 C51 P3 110.2(3) .
C52 C51 H51 106.2 .
C56 C51 H51 106.2 .
P3 C51 H51 106.2 .
C53 C52 C51 111.3(3) .
C53 C52 H52A 109.4 .
C51 C52 H52A 109.4 .
C53 C52 H52B 109.4 .
C51 C52 H52B 109.4 .
H52A C52 H52B 108.0 .
C52 C53 C54 111.7(3) .
C52 C53 H53A 109.3 .
C54 C53 H53A 109.3 .
C52 C53 H53B 109.3 .
C54 C53 H53B 109.3 .
H53A C53 H53B 107.9 .
C55 C54 C53 111.1(3) .
C55 C54 H54A 109.4 .
C53 C54 H54A 109.4 .
C55 C54 H54B 109.4 .
C53 C54 H54B 109.4 .
H54A C54 H54B 108.0 .
C56 C55 C54 111.6(3) .
C56 C55 H55A 109.3 .
C54 C55 H55A 109.3 .
C56 C55 H55B 109.3 .
C54 C55 H55B 109.3 .
H55A C55 H55B 108.0 .
C55 C56 C51 112.0(3) .
C55 C56 H56A 109.2 .
C51 C56 H56A 109.2 .
C55 C56 H56B 109.2 .
C51 C56 H56B 109.2 .
H56A C56 H56B 107.9 .
C62 C57 C58 110.2(3) .
C62 C57 P3 111.0(3) .
C58 C57 P3 112.1(2) .
C62 C57 H57 107.8 .
C58 C57 H57 107.8 .
P3 C57 H57 107.8 .
C59 C58 C57 111.5(3) .
C59 C58 H58A 109.3 .
C57 C58 H58A 109.3 .
C59 C58 H58B 109.3 .
C57 C58 H58B 109.3 .
H58A C58 H58B 108.0 .
C60 C59 C58 111.7(4) .
C60 C59 H59A 109.3 .
C58 C59 H59A 109.3 .
C60 C59 H59B 109.3 .
C58 C59 H59B 109.3 .
H59A C59 H59B 107.9 .
C59 C60 C61 110.9(4) .
C59 C60 H60A 109.5 .
C61 C60 H60A 109.5 .
C59 C60 H60B 109.5 .
C61 C60 H60B 109.5 .
H60A C60 H60B 108.0 .
C62 C61 C60 111.3(3) .
C62 C61 H61A 109.4 .
C60 C61 H61A 109.4 .
C62 C61 H61B 109.4 .
C60 C61 H61B 109.4 .
H61A C61 H61B 108.0 .
C61 C62 C57 111.7(4) .
C61 C62 H62A 109.3 .
C57 C62 H62A 109.3 .
C61 C62 H62B 109.3 .
C57 C62 H62B 109.3 .
H62A C62 H62B 107.9 .
C69 C64 C65 113.3(5) .
C69 C64 H64A 108.9 .
C65 C64 H64A 108.9 .
C69 C64 H64B 108.9 .
C65 C64 H64B 108.9 .
H64A C64 H64B 107.7 .
C66 C65 C64 109.6(4) .
C66 C65 H65A 109.8 .
C64 C65 H65A 109.8 .
C66 C65 H65B 109.8 .
C64 C65 H65B 109.8 .
H65A C65 H65B 108.2 .
C67 C66 C65 110.7(5) .
C67 C66 H66A 109.5 .
C65 C66 H66A 109.5 .
C67 C66 H66B 109.5 .
C65 C66 H66B 109.5 .
H66A C66 H66B 108.1 .
C66 C67 C68 111.3(4) .
C66 C67 H67A 109.4 .
C68 C67 H67A 109.4 .
C66 C67 H67B 109.4 .
C68 C67 H67B 109.4 .
H67A C67 H67B 108.0 .
C69 C68 C67 110.4(5) .
C69 C68 H68A 109.6 .
C67 C68 H68A 109.6 .
C69 C68 H68B 109.6 .
C67 C68 H68B 109.6 .
H68A C68 H68B 108.1 .
C64 C69 C68 110.6(4) .
C64 C69 P4 110.0(3) .
C68 C69 P4 114.8(4) .
C64 C69 H69 107.0 .
C68 C69 H69 107.0 .
P4 C69 H69 107.0 .
C75 C70 C71 111.0(4) .
C75 C70 P4 109.8(3) .
C71 C70 P4 112.3(4) .
C75 C70 H70 107.8 .
C71 C70 H70 107.8 .
P4 C70 H70 107.8 .
C72 C71 C70 111.5(5) .
C72 C71 H71A 109.3 .
C70 C71 H71A 109.3 .
C72 C71 H71B 109.3 .
C70 C71 H71B 109.3 .
H71A C71 H71B 108.0 .
C71 C72 C73 112.8(5) .
C71 C72 H72A 109.0 .
C73 C72 H72A 109.0 .
C71 C72 H72B 109.0 .
C73 C72 H72B 109.0 .
H72A C72 H72B 107.8 .
C74 C73 C72 110.4(6) .
C74 C73 H73A 109.6 .
C72 C73 H73A 109.6 .
C74 C73 H73B 109.6 .
C72 C73 H73B 109.6 .
H73A C73 H73B 108.1 .
C73 C74 C75 110.7(5) .
C73 C74 H74A 109.5 .
C75 C74 H74A 109.5 .
C73 C74 H74B 109.5 .
C75 C74 H74B 109.5 .
H74A C74 H74B 108.1 .
C70 C75 C74 112.2(5) .
C70 C75 H75A 109.2 .
C74 C75 H75A 109.2 .
C70 C75 H75B 109.2 .
C74 C75 H75B 109.2 .
H75A C75 H75B 107.9 .
O1A Si2A C77A 110.6(9) .
O1A Si2A C78A 111.4(8) .
C77A Si2A C78A 106.8(12) .
O1A Si2A C79A 109.3(7) .
C77A Si2A C79A 109.1(10) .
C78A Si2A C79A 109.6(9) .
C80A Si3A C81A 109.1(16) .
C80A Si3A C82A 115.4(18) .
C81A Si3A C82A 117.3(16) .
C80A Si3A O1A 110.7(13) .
C81A Si3A O1A 74.5(11) .
C82A Si3A O1A 122.9(12) .
Si2A O1A Si3A 140.0(7) .
Si2A C77A H77D 109.5 .
Si2A C77A H77E 109.5 .
H77D C77A H77E 109.5 .
Si2A C77A H77F 109.5 .
H77D C77A H77F 109.5 .
H77E C77A H77F 109.5 .
Si2A C78A H78D 109.5 .
Si2A C78A H78E 109.5 .
H78D C78A H78E 109.5 .
Si2A C78A H78F 109.5 .
H78D C78A H78F 109.5 .
H78E C78A H78F 109.5 .
Si2A C79A H79D 109.5 .
Si2A C79A H79E 109.5 .
H79D C79A H79E 109.5 .
Si2A C79A H79F 109.5 .
H79D C79A H79F 109.5 .
H79E C79A H79F 109.5 .
Si3A C80A H80D 109.5 .
Si3A C80A H80E 109.5 .
H80D C80A H80E 109.5 .
Si3A C80A H80F 109.5 .
H80D C80A H80F 109.5 .
H80E C80A H80F 109.5 .
Si3A C81A H81D 109.5 .
Si3A C81A H81E 109.5 .
H81D C81A H81E 109.5 .
Si3A C81A H81F 109.5 .
H81D C81A H81F 109.5 .
H81E C81A H81F 109.5 .
Si3A C82A H82D 109.5 .
Si3A C82A H82E 109.5 .
H82D C82A H82E 109.5 .
Si3A C82A H82F 109.5 .
H82D C82A H82F 109.5 .
H82E C82A H82F 109.5 .
O1B Si2B C79B 106.7(7) .
O1B Si2B C78B 110.0(9) .
C79B Si2B C78B 109.3(10) .
O1B Si2B C77B 106.5(9) .
C79B Si2B C77B 110.8(11) .
C78B Si2B C77B 113.3(11) .
O1B Si3B C82B 92.7(12) .
O1B Si3B C81B 148.8(14) .
C82B Si3B C81B 101.3(14) .
O1B Si3B C80B 91.3(13) .
C82B Si3B C80B 108.3(17) .
C81B Si3B C80B 110.1(12) .
Si2B O1B Si3B 136.5(11) .
Si2B C78B H78A 109.5 .
Si2B C78B H78B 109.5 .
H78A C78B H78B 109.5 .
Si2B C78B H78C 109.5 .
H78A C78B H78C 109.5 .
H78B C78B H78C 109.5 .
Si2B C79B H79A 109.5 .
Si2B C79B H79B 109.5 .
H79A C79B H79B 109.5 .
Si2B C79B H79C 109.5 .
H79A C79B H79C 109.5 .
H79B C79B H79C 109.5 .
Si3B C80B H80A 109.5 .
Si3B C80B H80B 109.5 .
H80A C80B H80B 109.5 .
Si3B C80B H80C 109.5 .
H80A C80B H80C 109.5 .
H80B C80B H80C 109.5 .
Si3B C81B H81A 109.5 .
Si3B C81B H81B 109.5 .
H81A C81B H81B 109.5 .
Si3B C81B H81C 109.5 .
H81A C81B H81C 109.5 .
H81B C81B H81C 109.5 .
Si3B C82B H82A 109.5 .
Si3B C82B H82B 109.5 .
H82A C82B H82B 109.5 .
Si3B C82B H82C 109.5 .
H82A C82B H82C 109.5 .
H82B C82B H82C 109.5 .
Si2B C77B H77A 109.5 .
Si2B C77B H77B 109.5 .
H77A C77B H77B 109.5 .
Si2B C77B H77C 109.5 .
H77A C77B H77C 109.5 .
H77B C77B H77C 109.5 .
C84 C83 H83A 109.5 .
C84 C83 H83B 109.5 .
H83A C83 H83B 109.5 .
C84 C83 H83C 109.5 .
H83A C83 H83C 109.5 .
H83B C83 H83C 109.5 .
C85 C84 C83 115.2(6) .
C85 C84 H84A 108.5 .
C83 C84 H84A 108.5 .
C85 C84 H84B 108.5 .
C83 C84 H84B 108.5 .
H84A C84 H84B 107.5 .
C84 C85 C86B 133.7(7) .
C84 C85 C86A 97.6(7) .
C84 C85 H85C 103.8 .
C86B C85 H85C 103.8 .
C84 C85 H85D 103.8 .
C86B C85 H85D 103.8 .
H85C C85 H85D 105.4 .
C84 C85 H85A 112.2 .
C86A C85 H85A 112.2 .
C84 C85 H85B 112.2 .
C86A C85 H85B 112.2 .
H85A C85 H85B 109.8 .
C87 C86A C85 115.0(11) .
C87 C86A H86A 108.5 .
C85 C86A H86A 108.5 .
C87 C86A H86B 108.5 .
C85 C86A H86B 108.5 .
H86A C86A H86B 107.5 .
C87 C86B C85 117.0(10) .
C87 C86B H86C 108.1 .
C85 C86B H86C 108.1 .
C87 C86B H86D 108.1 .
C85 C86B H86D 108.1 .
H86C C86B H86D 107.3 .
C86B C87 H87D 109.5 .
C86B C87 H87E 109.5 .
H87D C87 H87E 109.5 .
C86B C87 H87F 109.5 .
H87D C87 H87F 109.5 .
H87E C87 H87F 109.5 .
C86A C87 H87A 109.5 .
C86A C87 H87B 109.5 .
H87A C87 H87B 109.5 .
C86A C87 H87C 109.5 .
H87A C87 H87C 109.5 .
H87B C87 H87C 109.5 .
C89 C88 H88A 109.5 .
C89 C88 H88B 109.5 .
H88A C88 H88B 109.5 .
C89 C88 H88C 109.5 .
H88A C88 H88C 109.5 .
H88B C88 H88C 109.5 .
C88 C89 C90 123.0(12) .
C90 C89 H89A 109.5 .
C90 C89 H89B 109.5 .
H89A C89 H89B 109.5 .
C90 C89 H89C 109.5 .
H89A C89 H89C 109.5 .
H89B C89 H89C 109.5 .
C90 C90 C89 115.7(9) 2_665
C90 C90 H90A 108.4 2_665
C89 C90 H90A 108.4 .
C90 C90 H90B 108.4 2_665
C89 C90 H90B 108.4 .
H90A C90 H90B 107.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 P1 2.1289(11) .
Ni1 P2 2.1305(10) .
Ni1 Si1 2.2428(11) .
Ni1 H1 1.48(4) .
P1 C1 1.840(4) .
P1 C14 1.853(4) .
P1 C20 1.853(4) .
P2 C13 1.833(4) .
P2 C26 1.840(4) .
P2 C32 1.852(4) .
Si1 C7 1.893(4) .
Si1 C6 1.905(4) .
Si1 C8 1.912(4) .
C1 C2 1.394(5) .
C1 C6 1.412(5) .
C2 C3 1.389(5) .
C2 H0AA 0.9500 .
C3 C4 1.380(6) .
C3 H3 0.9500 .
C4 C5 1.383(6) .
C4 H4 0.9500 .
C5 C6 1.396(5) .
C5 H5 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.401(5) .
C8 C13 1.403(5) .
C9 C10 1.382(5) .
C9 H9 0.9500 .
C10 C11 1.386(5) .
C10 H10 0.9500 .
C11 C12 1.376(5) .
C11 H11 0.9500 .
C12 C13 1.406(5) .
C12 H12 0.9500 .
C14 C15 1.527(5) .
C14 C19 1.530(5) .
C14 H14 1.0000 .
C15 C16 1.536(6) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.508(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.516(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.526(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.518(6) .
C20 C25 1.535(5) .
C20 H20 1.0000 .
C21 C22 1.521(6) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.519(6) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.498(7) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.522(6) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.528(5) .
C26 C31 1.534(5) .
C26 H26 1.0000 .
C27 C28 1.515(6) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.517(6) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.520(6) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.520(6) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C37 1.517(5) .
C32 C33 1.531(5) .
C32 H32 1.0000 .
C33 C34 1.522(5) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.535(6) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.517(8) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.528(6) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
Ni2 P4 2.1312(12) .
Ni2 P3 2.1371(11) .
Ni2 Si2 2.2416(12) .
Ni2 H2 1.478(19) .
P3 C38 1.835(4) .
P3 C51 1.843(4) .
P3 C57 1.845(4) .
P4 C50 1.829(4) .
P4 C70 1.858(5) .
P4 C69 1.870(4) .
Si2 C44 1.893(5) .
Si2 C45 1.905(4) .
Si2 C43 1.907(4) .
C38 C39 1.402(5) .
C38 C43 1.404(5) .
C39 C40 1.386(5) .
C39 H39 0.9500 .
C40 C41 1.390(6) .
C40 H40 0.9500 .
C41 C42 1.382(5) .
C41 H41 0.9500 .
C42 C43 1.392(5) .
C42 H42 0.9500 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C50 1.398(6) .
C45 C46 1.401(6) .
C46 C47 1.384(7) .
C46 H46 0.9500 .
C47 C48 1.378(7) .
C47 H47 0.9500 .
C48 C49 1.382(6) .
C48 H48 0.9500 .
C49 C50 1.403(6) .
C49 H49 0.9500 .
C51 C52 1.535(5) .
C51 C56 1.538(5) .
C51 H51 1.0000 .
C52 C53 1.515(6) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.523(6) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.518(6) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.515(6) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C62 1.523(5) .
C57 C58 1.529(5) .
C57 H57 1.0000 .
C58 C59 1.527(5) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 C60 1.516(7) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C61 1.529(6) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 C62 1.517(6) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C64 C69 1.521(7) .
C64 C65 1.534(6) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 C66 1.516(7) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C67 1.493(9) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.577(8) .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C68 C69 1.543(6) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
C69 H69 1.0000 .
C70 C75 1.518(7) .
C70 C71 1.525(7) .
C70 H70 1.0000 .
C71 C72 1.521(9) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 C73 1.531(11) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 C74 1.510(9) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 C75 1.527(7) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
Si2A O1A 1.618(11) .
Si2A C77A 1.82(2) .
Si2A C78A 1.82(2) .
Si2A C79A 1.859(13) .
Si3A C80A 1.69(4) .
Si3A C81A 1.75(2) .
Si3A C82A 1.76(3) .
Si3A O1A 1.788(18) .
C77A H77D 0.9800 .
C77A H77E 0.9800 .
C77A H77F 0.9800 .
C78A H78D 0.9800 .
C78A H78E 0.9800 .
C78A H78F 0.9800 .
C79A H79D 0.9800 .
C79A H79E 0.9800 .
C79A H79F 0.9800 .
C80A H80D 0.9800 .
C80A H80E 0.9800 .
C80A H80F 0.9800 .
C81A H81D 0.9800 .
C81A H81E 0.9800 .
C81A H81F 0.9800 .
C82A H82D 0.9800 .
C82A H82E 0.9800 .
C82A H82F 0.9800 .
Si2B O1B 1.639(13) .
Si2B C79B 1.833(15) .
Si2B C78B 1.84(2) .
Si2B C77B 1.93(2) .
Si3B O1B 1.676(19) .
Si3B C82B 1.86(3) .
Si3B C81B 1.91(2) .
Si3B C80B 2.05(4) .
C78B H78A 0.9800 .
C78B H78B 0.9800 .
C78B H78C 0.9800 .
C79B H79A 0.9800 .
C79B H79B 0.9800 .
C79B H79C 0.9800 .
C80B H80A 0.9800 .
C80B H80B 0.9800 .
C80B H80C 0.9800 .
C81B H81A 0.9800 .
C81B H81B 0.9800 .
C81B H81C 0.9800 .
C82B H82A 0.9800 .
C82B H82B 0.9800 .
C82B H82C 0.9800 .
C77B H77A 0.9800 .
C77B H77B 0.9800 .
C77B H77C 0.9800 .
C83 C84 1.460(9) .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 C85 1.453(8) .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 C86B 1.474(12) .
C85 C86A 1.717(16) .
C85 H85C 0.9900 .
C85 H85D 0.9900 .
C85 H85A 0.9900 .
C85 H85B 0.9900 .
C86A C87 1.217(15) .
C86A H86A 0.9900 .
C86A H86B 0.9900 .
C86B C87 1.447(13) .
C86B H86C 0.9900 .
C86B H86D 0.9900 .
C87 H87D 0.9800 .
C87 H87E 0.9800 .
C87 H87F 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 C89 1.321(14) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 C90 1.489(10) .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C90 C90 1.431(14) 2_665
C90 H90A 0.9900 .
C90 H90B 0.9900 .
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_4
C14 P1 C1 C2 73.6(3) .
C20 P1 C1 C2 -34.8(3) .
Ni1 P1 C1 C2 -159.3(3) .
C14 P1 C1 C6 -105.5(3) .
C20 P1 C1 C6 146.0(3) .
Ni1 P1 C1 C6 21.6(3) .
C6 C1 C2 C3 0.0(5) .
P1 C1 C2 C3 -179.1(3) .
C1 C2 C3 C4 0.5(6) .
C2 C3 C4 C5 0.2(6) .
C3 C4 C5 C6 -1.3(6) .
C4 C5 C6 C1 1.7(5) .
C4 C5 C6 Si1 -179.7(3) .
C2 C1 C6 C5 -1.0(5) .
P1 C1 C6 C5 178.2(3) .
C2 C1 C6 Si1 -179.8(3) .
P1 C1 C6 Si1 -0.6(4) .
C13 C8 C9 C10 -2.5(5) .
Si1 C8 C9 C10 -179.8(3) .
C8 C9 C10 C11 0.9(6) .
C9 C10 C11 C12 1.0(6) .
C10 C11 C12 C13 -1.2(6) .
C9 C8 C13 C12 2.3(5) .
Si1 C8 C13 C12 179.8(3) .
C9 C8 C13 P2 -179.0(3) .
Si1 C8 C13 P2 -1.4(4) .
C11 C12 C13 C8 -0.4(5) .
C11 C12 C13 P2 -179.1(3) .
C26 P2 C13 C8 110.9(3) .
C32 P2 C13 C8 -139.5(3) .
Ni1 P2 C13 C8 -15.0(3) .
C26 P2 C13 C12 -70.4(3) .
C32 P2 C13 C12 39.2(4) .
Ni1 P2 C13 C12 163.7(3) .
C1 P1 C14 C15 -60.2(3) .
C20 P1 C14 C15 49.1(3) .
Ni1 P1 C14 C15 178.3(2) .
C1 P1 C14 C19 65.8(3) .
C20 P1 C14 C19 175.1(3) .
Ni1 P1 C14 C19 -55.7(3) .
C19 C14 C15 C16 56.3(4) .
P1 C14 C15 C16 -177.3(3) .
C14 C15 C16 C17 -56.5(5) .
C15 C16 C17 C18 54.9(5) .
C16 C17 C18 C19 -53.8(5) .
C17 C18 C19 C14 54.6(5) .
C15 C14 C19 C18 -55.9(4) .
P1 C14 C19 C18 175.0(3) .
C1 P1 C20 C21 169.7(3) .
C14 P1 C20 C21 60.2(3) .
Ni1 P1 C20 C21 -70.3(3) .
C1 P1 C20 C25 -67.3(3) .
C14 P1 C20 C25 -176.8(3) .
Ni1 P1 C20 C25 52.7(3) .
C25 C20 C21 C22 53.9(4) .
P1 C20 C21 C22 176.5(3) .
C20 C21 C22 C23 -55.3(5) .
C21 C22 C23 C24 55.9(5) .
C22 C23 C24 C25 -56.6(5) .
C23 C24 C25 C20 56.5(5) .
C21 C20 C25 C24 -54.4(5) .
P1 C20 C25 C24 -178.4(3) .
C13 P2 C26 C27 -70.0(3) .
C32 P2 C26 C27 -178.3(3) .
Ni1 P2 C26 C27 53.8(3) .
C13 P2 C26 C31 57.9(3) .
C32 P2 C26 C31 -50.4(3) .
Ni1 P2 C26 C31 -178.3(3) .
C31 C26 C27 C28 54.8(4) .
P2 C26 C27 C28 -173.9(3) .
C26 C27 C28 C29 -54.5(5) .
C27 C28 C29 C30 54.1(5) .
C28 C29 C30 C31 -54.5(5) .
C29 C30 C31 C26 55.1(5) .
C27 C26 C31 C30 -55.1(5) .
P2 C26 C31 C30 177.1(3) .
C13 P2 C32 C37 -169.5(3) .
C26 P2 C32 C37 -57.9(3) .
Ni1 P2 C32 C37 69.2(3) .
C13 P2 C32 C33 66.5(3) .
C26 P2 C32 C33 178.1(2) .
Ni1 P2 C32 C33 -54.8(3) .
C37 C32 C33 C34 52.4(4) .
P2 C32 C33 C34 176.7(3) .
C32 C33 C34 C35 -54.2(5) .
C33 C34 C35 C36 57.5(5) .
C34 C35 C36 C37 -59.0(5) .
C33 C32 C37 C36 -53.8(4) .
P2 C32 C37 C36 -176.1(3) .
C35 C36 C37 C32 57.6(5) .
C51 P3 C38 C39 70.3(3) .
C57 P3 C38 C39 -38.9(3) .
Ni2 P3 C38 C39 -163.7(3) .
C51 P3 C38 C43 -111.7(3) .
C57 P3 C38 C43 139.1(3) .
Ni2 P3 C38 C43 14.2(3) .
C43 C38 C39 C40 1.1(5) .
P3 C38 C39 C40 179.0(3) .
C38 C39 C40 C41 0.3(6) .
C39 C40 C41 C42 -0.5(6) .
C40 C41 C42 C43 -0.6(6) .
C41 C42 C43 C38 2.0(6) .
C41 C42 C43 Si2 176.2(3) .
C39 C38 C43 C42 -2.2(5) .
P3 C38 C43 C42 179.7(3) .
C39 C38 C43 Si2 -177.1(3) .
P3 C38 C43 Si2 4.9(4) .
C50 C45 C46 C47 -1.5(6) .
Si2 C45 C46 C47 179.4(3) .
C45 C46 C47 C48 0.4(7) .
C46 C47 C48 C49 0.8(7) .
C47 C48 C49 C50 -0.9(7) .
C46 C45 C50 C49 1.4(6) .
Si2 C45 C50 C49 -179.4(3) .
C46 C45 C50 P4 -177.3(3) .
Si2 C45 C50 P4 1.8(4) .
C48 C49 C50 C45 -0.3(6) .
C48 C49 C50 P4 178.4(3) .
C70 P4 C50 C45 -145.8(3) .
C69 P4 C50 C45 104.2(3) .
Ni2 P4 C50 C45 -21.1(3) .
C70 P4 C50 C49 35.4(4) .
C69 P4 C50 C49 -74.6(4) .
Ni2 P4 C50 C49 160.2(3) .
C38 P3 C51 C52 -60.5(3) .
C57 P3 C51 C52 47.7(3) .
Ni2 P3 C51 C52 176.1(2) .
C38 P3 C51 C56 66.4(3) .
C57 P3 C51 C56 174.5(2) .
Ni2 P3 C51 C56 -57.0(3) .
C56 C51 C52 C53 55.5(4) .
P3 C51 C52 C53 -177.5(3) .
C51 C52 C53 C54 -56.4(4) .
C52 C53 C54 C55 55.4(5) .
C53 C54 C55 C56 -54.5(5) .
C54 C55 C56 C51 55.0(4) .
C52 C51 C56 C55 -55.0(4) .
P3 C51 C56 C55 174.0(3) .
C38 P3 C57 C62 -64.5(3) .
C51 P3 C57 C62 -175.3(3) .
Ni2 P3 C57 C62 56.9(3) .
C38 P3 C57 C58 171.8(3) .
C51 P3 C57 C58 60.9(3) .
Ni2 P3 C57 C58 -66.8(3) .
C62 C57 C58 C59 55.3(4) .
P3 C57 C58 C59 179.4(3) .
C57 C58 C59 C60 -55.4(4) .
C58 C59 C60 C61 54.6(5) .
C59 C60 C61 C62 -54.9(5) .
C60 C61 C62 C57 56.2(5) .
C58 C57 C62 C61 -56.0(4) .
P3 C57 C62 C61 179.2(3) .
C69 C64 C65 C66 -57.0(7) .
C64 C65 C66 C67 58.9(7) .
C65 C66 C67 C68 -59.2(6) .
C66 C67 C68 C69 55.4(6) .
C65 C64 C69 C68 54.0(5) .
C65 C64 C69 P4 -178.2(3) .
C67 C68 C69 C64 -51.7(5) .
C67 C68 C69 P4 -176.8(4) .
C50 P4 C69 C64 -66.1(3) .
C70 P4 C69 C64 -175.2(3) .
Ni2 P4 C69 C64 54.3(3) .
C50 P4 C69 C68 59.4(4) .
C70 P4 C69 C68 -49.8(4) .
Ni2 P4 C69 C68 179.7(3) .
C50 P4 C70 C75 67.3(4) .
C69 P4 C70 C75 176.1(3) .
Ni2 P4 C70 C75 -53.0(4) .
C50 P4 C70 C71 -168.6(3) .
C69 P4 C70 C71 -59.8(4) .
Ni2 P4 C70 C71 71.1(4) .
C75 C70 C71 C72 -52.7(6) .
P4 C70 C71 C72 -176.1(4) .
C70 C71 C72 C73 53.3(7) .
C71 C72 C73 C74 -54.9(7) .
C72 C73 C74 C75 55.8(8) .
C71 C70 C75 C74 55.1(6) .
P4 C70 C75 C74 180.0(4) .
C73 C74 C75 C70 -57.1(8) .
C77A Si2A O1A Si3A -142.7(14) .
C78A Si2A O1A Si3A 98.7(15) .
C79A Si2A O1A Si3A -22.5(15) .
C80A Si3A O1A Si2A 79.7(18) .
C81A Si3A O1A Si2A -175.3(13) .
C82A Si3A O1A Si2A -63(2) .
C79B Si2B O1B Si3B -160.4(14) .
C78B Si2B O1B Si3B -41.9(17) .
C77B Si2B O1B Si3B 81.2(17) .
C82B Si3B O1B Si2B 88.7(18) .
C81B Si3B O1B Si2B -28(3) .
C80B Si3B O1B Si2B -162.9(15) .
C83 C84 C85 C86B 159.9(9) .
C83 C84 C85 C86A -166.1(6) .
C84 C85 C86A C87 172.0(10) .
C84 C85 C86B C87 84.2(12) .
C88 C89 C90 C90 71.1(18) 2_665
