#------------------------------------------------------------------------------
#$Date: 2022-05-16 08:31:14 +0300 (Mon, 16 May 2022) $
#$Revision: 275434 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/52/1565282.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_1565282
loop_
_publ_author_name
'Madera, Justin'
'Slattery, Megan'
'Arman, Hadi D.'
'Tonzetich, Zachary J.'
_publ_section_title
;
 Suzuki-Miyaura coupling catalyzed by a Ni(II) PNP pincer complex: Scope
 and mechanistic insights
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119457
_journal_paper_doi               10.1016/j.ica.2020.119457
_journal_volume                  504
_journal_year                    2020
_chemical_formula_moiety         'C36 H68 N2 Ni P2 Si2, 0.5(C7 H16)'
_chemical_formula_sum            'C39.5 H76 N2 Ni P2 Si2'
_chemical_formula_weight         755.85
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                92.469(7)
_cell_angle_beta                 95.953(7)
_cell_angle_gamma                106.944(8)
_cell_formula_units_Z            4
_cell_length_a                   11.294(2)
_cell_length_b                   18.756(3)
_cell_length_c                   22.036(4)
_cell_measurement_reflns_used    15817
_cell_measurement_temperature    98
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.1
_cell_volume                     4428.0(13)
_computing_cell_refinement
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      98
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details
;
scan:
	Number of images: 246
	           Slice: -68.0000 - 55.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 90.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 222
	           Slice: -67.0000 - 44.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 270.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 120
	           Slice: -80.0000 - -20.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 90.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 60
	           Slice: -115.0000 - -85.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 180.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 56
	           Slice: -61.0000 - -33.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 180.0000
	             XTD: 35.0000
	          2theta: -35.0000
;
_diffrn_measurement_device
;
AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type
;
Rigaku Saturn724 (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Loop
_diffrn_orient_matrix_type       FS_PROCESS
_diffrn_orient_matrix_UB_11      0.087069
_diffrn_orient_matrix_UB_12      0.030241
_diffrn_orient_matrix_UB_13      -0.004654
_diffrn_orient_matrix_UB_21      0.013144
_diffrn_orient_matrix_UB_22      0.018635
_diffrn_orient_matrix_UB_23      0.044121
_diffrn_orient_matrix_UB_31      0.030706
_diffrn_orient_matrix_UB_32      -0.043167
_diffrn_orient_matrix_UB_33      0.011220
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26868
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.048
_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         3.053
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.592
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            'clear dark violet'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_description       block
_exptl_crystal_F_000             1654
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     852
_refine_ls_number_reflns         14995
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+3.3850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1014
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11274
_reflns_number_total             14995
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-504-119457.cif
_cod_data_source_block           cd1482a
_cod_depositor_comments
;

2022-05-15
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C79 H153 N4 Ni2 P4 Si4'
_cod_original_formula_weight         1512.70
_cod_original_formula_moiety
'C36 H68 N2 Ni P2 Si2, C36 H69 N2 Ni P2 Si2, C7 H16'
_cod_original_formula_units_Z            2
_cod_original_cell_volume        4427.8(13)
_cod_database_code               1565282
_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_max   0.906
_shelx_estimated_absorpt_t_min   0.811
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C61(H61), C42(H42), C6(H6), C48(H48), C19(H19), C25(H25), C55(H55), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C41(H41A,H41B), C18(H18A,H18B), C5(H5A,H5B), C54(H54A,H54B), C66(H66A,H66B),
 C11(H11A,H11B), C38(H38A,H38B), C7(H7A,H7B), C43(H43A,H43B), C13(H13A,H13B),
 C53(H53A,H53B), C62(H62A,H62B), C44(H44A,H44B), C60(H60A,H60B), C10(H10A,H10B),
  C9(H9A,H9B), C17(H17A,H17B), C49(H49A,H49B), C47(H47A,H47B), C16(H16A,H16B),
 C65(H65A,H65B), C20(H20A,H20B), C51(H51A,H51B), C8(H8A,H8B), C52(H52A,H52B),
 C63(H63A,H63B), C14(H14A,H14B), C57(H57A,H57B), C24(H24A,H24B), C64(H64A,H64B),
  C50(H50A,H50B), C45(H45A,H45B), C59(H59A,H59B), C22(H22A,H22B), C56(H56A,
 H56B), C46(H46A,H46B), C21(H21A,H21B), C75(H75A,H75B), C15(H15A,H15B),
 C78(H78A,H78B), C23(H23A,H23B), C58(H58A,H58B), C30(H30A,H30B), C27(H27A,H27B),
  C76(H76A,H76B), C74(H74A,H74B), C77(H77A,H77B), C26(H26A,H26B), C29(H29A,
 H29B), C28(H28A,H28B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C2(H2), C39(H39)
2.d Idealised Me refined as rotating group:
 C69(H69A,H69B,H69C), C67(H67A,H67B,H67C), C31(H31A,H31B,H31C), C68(H68A,H68B,
 H68C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C71(H71A,H71B,H71C), C70(H70A,
 H70B,H70C), C36(H36A,H36B,H36C), C72(H72A,H72B,H72C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C79(H79A,H79B,H79C), C73(H73A,H73B,H73C)
;
_shelx_shelxl_version_number     2014/7
_olex2_exptl_crystal_mounting_method 'nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
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 0.57162(3) 0.41286(2) 0.23456(2) 0.01322(9) Uani 1 1 d . . . . .
Ni2 Ni -0.06130(3) 0.10431(2) 0.26853(2) 0.01267(8) Uani 1 1 d . . . . .
P1 P 0.70058(6) 0.40730(3) 0.32235(3) 0.01453(14) Uani 1 1 d . . . . .
P2 P 0.42162(6) 0.37540(3) 0.15154(3) 0.01403(14) Uani 1 1 d . . . . .
P3 P 0.08575(6) 0.14307(3) 0.35266(3) 0.01357(14) Uani 1 1 d . . . . .
P4 P -0.18746(6) 0.10358(3) 0.18010(3) 0.01420(14) Uani 1 1 d . . . . .
Si1 Si 0.55565(7) 0.58174(4) 0.25805(3) 0.01661(16) Uani 1 1 d . . . . .
Si4 Si -0.23360(7) -0.03984(4) 0.32144(3) 0.01647(16) Uani 1 1 d . . . . .
Si3 Si -0.04207(7) -0.06562(4) 0.24386(3) 0.01583(16) Uani 1 1 d . . . . .
Si2 Si 0.74760(7) 0.55514(4) 0.18075(3) 0.01763(16) Uani 1 1 d . . . . .
N3 N -0.01313(19) 0.21016(11) 0.25920(9) 0.0147(5) Uani 1 1 d . . . . .
N2 N 0.62493(19) 0.52158(11) 0.22345(10) 0.0165(5) Uani 1 1 d . . . . .
N1 N 0.51800(19) 0.30726(11) 0.24411(10) 0.0150(5) Uani 1 1 d . . . . .
N4 N -0.11299(19) -0.00524(11) 0.27738(10) 0.0150(5) Uani 1 1 d . . . . .
C61 C -0.1018(2) 0.08944(13) 0.11423(12) 0.0165(5) Uani 1 1 d . . . . .
H61 H -0.1038 0.0368 0.1124 0.020 Uiso 1 1 calc R . . . .
C41 C 0.1779(2) 0.23683(13) 0.33312(12) 0.0175(6) Uani 1 1 d . . . . .
H41A H 0.2075 0.2707 0.3697 0.021 Uiso 1 1 calc R . . . .
H41B H 0.2492 0.2334 0.3135 0.021 Uiso 1 1 calc R . . . .
C18 C 0.3209(2) 0.28760(13) 0.17657(12) 0.0171(5) Uani 1 1 d . . . . .
H18A H 0.2587 0.2976 0.2001 0.021 Uiso 1 1 calc R . . . .
H18B H 0.2787 0.2531 0.1416 0.021 Uiso 1 1 calc R . . . .
C37 C 0.0910(2) 0.26416(13) 0.29021(12) 0.0167(5) Uani 1 1 d . . . . .
C42 C 0.0123(2) 0.16082(13) 0.42224(12) 0.0154(5) Uani 1 1 d . . . . .
H42 H -0.0344 0.1117 0.4341 0.019 Uiso 1 1 calc R . . . .
C40 C -0.0753(2) 0.24786(13) 0.21962(12) 0.0163(5) Uani 1 1 d . . . . .
C1 C 0.5840(2) 0.26585(14) 0.27738(12) 0.0166(6) Uani 1 1 d . . . . .
C4 C 0.4079(2) 0.25567(13) 0.21558(12) 0.0165(5) Uani 1 1 d . . . . .
C5 C 0.7088(2) 0.30984(13) 0.31235(12) 0.0187(6) Uani 1 1 d . . . . .
H5A H 0.7767 0.3079 0.2893 0.022 Uiso 1 1 calc R . . . .
H5B H 0.7212 0.2902 0.3517 0.022 Uiso 1 1 calc R . . . .
C54 C -0.1939(2) 0.20177(13) 0.18132(12) 0.0185(6) Uani 1 1 d . . . . .
H54A H -0.1979 0.2181 0.1402 0.022 Uiso 1 1 calc R . . . .
H54B H -0.2664 0.2062 0.1994 0.022 Uiso 1 1 calc R . . . .
C6 C 0.6197(2) 0.41278(13) 0.39246(12) 0.0170(6) Uani 1 1 d . . . . .
H6 H 0.6574 0.4632 0.4124 0.020 Uiso 1 1 calc R . . . .
C48 C 0.2057(2) 0.09468(14) 0.37463(12) 0.0170(6) Uani 1 1 d . . . . .
H48 H 0.2241 0.0752 0.3359 0.020 Uiso 1 1 calc R . . . .
C19 C 0.3083(2) 0.42736(13) 0.12653(12) 0.0166(5) Uani 1 1 d . . . . .
H19 H 0.2884 0.4473 0.1647 0.020 Uiso 1 1 calc R . . . .
C3 C 0.4043(2) 0.18376(14) 0.23096(12) 0.0196(6) Uani 1 1 d . . . . .
H3 H 0.3408 0.1399 0.2182 0.023 Uiso 1 1 calc R . . . .
C69 C -0.0212(3) -0.14112(14) 0.29611(13) 0.0229(6) Uani 1 1 d . . . . .
H69A H 0.0337 -0.1180 0.3324 0.034 Uiso 1 1 calc GR . . . .
H69B H 0.0140 -0.1743 0.2750 0.034 Uiso 1 1 calc GR . . . .
H69C H -0.1007 -0.1689 0.3072 0.034 Uiso 1 1 calc GR . . . .
C66 C 0.0379(2) 0.13583(14) 0.12761(12) 0.0186(6) Uani 1 1 d . . . . .
H66A H 0.0715 0.1265 0.1678 0.022 Uiso 1 1 calc R . . . .
H66B H 0.0454 0.1887 0.1276 0.022 Uiso 1 1 calc R . . . .
C25 C 0.4886(2) 0.34780(14) 0.08244(12) 0.0165(6) Uani 1 1 d . . . . .
H25 H 0.5313 0.3944 0.0653 0.020 Uiso 1 1 calc R . . . .
C11 C 0.4798(2) 0.40411(15) 0.37406(12) 0.0204(6) Uani 1 1 d . . . . .
H11A H 0.4719 0.4395 0.3442 0.024 Uiso 1 1 calc R . . . .
H11B H 0.4386 0.3542 0.3551 0.024 Uiso 1 1 calc R . . . .
C38 C 0.0940(2) 0.33465(14) 0.27104(12) 0.0195(6) Uani 1 1 d . . . . .
H38A H 0.1707 0.3568 0.2537 0.023 Uiso 1 1 calc R . . . .
H38B H 0.0896 0.3675 0.3054 0.023 Uiso 1 1 calc R . . . .
C7 C 0.6315(2) 0.35689(14) 0.44178(12) 0.0190(6) Uani 1 1 d . . . . .
H7A H 0.5917 0.3060 0.4244 0.023 Uiso 1 1 calc R . . . .
H7B H 0.7189 0.3623 0.4540 0.023 Uiso 1 1 calc R . . . .
C55 C -0.3550(2) 0.04573(14) 0.16215(12) 0.0195(6) Uani 1 1 d . . . . .
H55 H -0.3898 0.0439 0.2012 0.023 Uiso 1 1 calc R . . . .
C67 C -0.1286(3) -0.12280(14) 0.16985(13) 0.0242(6) Uani 1 1 d . . . . .
H67A H -0.2097 -0.1528 0.1773 0.036 Uiso 1 1 calc GR . . . .
H67B H -0.0822 -0.1547 0.1563 0.036 Uiso 1 1 calc GR . . . .
H67C H -0.1372 -0.0896 0.1389 0.036 Uiso 1 1 calc GR . . . .
C12 C 0.8681(2) 0.46213(14) 0.34321(12) 0.0193(6) Uani 1 1 d . . . . .
H12 H 0.9108 0.4536 0.3083 0.023 Uiso 1 1 calc R . . . .
C2 C 0.5169(2) 0.19036(14) 0.27011(13) 0.0209(6) Uani 1 1 d . . . . .
H2 H 0.5407 0.1515 0.2874 0.025 Uiso 1 1 calc R . . . .
C43 C -0.0851(3) 0.20334(16) 0.40557(13) 0.0256(6) Uani 1 1 d . . . . .
H43A H -0.0427 0.2528 0.3941 0.031 Uiso 1 1 calc R . . . .
H43B H -0.1434 0.1767 0.3708 0.031 Uiso 1 1 calc R . . . .
C31 C 0.6353(3) 0.62496(16) 0.33734(13) 0.0287(7) Uani 1 1 d . . . . .
H31A H 0.6329 0.5860 0.3645 0.043 Uiso 1 1 calc GR . . . .
H31B H 0.5926 0.6580 0.3528 0.043 Uiso 1 1 calc GR . . . .
H31C H 0.7205 0.6526 0.3346 0.043 Uiso 1 1 calc GR . . . .
C68 C 0.1178(3) -0.01653(15) 0.22116(14) 0.0284(7) Uani 1 1 d . . . . .
H68A H 0.1175 0.0305 0.2057 0.043 Uiso 1 1 calc GR . . . .
H68B H 0.1372 -0.0472 0.1900 0.043 Uiso 1 1 calc GR . . . .
H68C H 0.1794 -0.0081 0.2563 0.043 Uiso 1 1 calc GR . . . .
C32 C 0.5530(3) 0.66460(14) 0.21073(14) 0.0265(7) Uani 1 1 d . . . . .
H32A H 0.6355 0.6888 0.2012 0.040 Uiso 1 1 calc GR . . . .
H32B H 0.5243 0.6995 0.2338 0.040 Uiso 1 1 calc GR . . . .
H32C H 0.4977 0.6470 0.1735 0.040 Uiso 1 1 calc GR . . . .
C13 C 0.8891(2) 0.54737(14) 0.35059(13) 0.0230(6) Uani 1 1 d . . . . .
H13A H 0.8542 0.5596 0.3866 0.028 Uiso 1 1 calc R . . . .
H13B H 0.8465 0.5627 0.3153 0.028 Uiso 1 1 calc R . . . .
C53 C 0.1534(3) 0.02484(14) 0.40999(14) 0.0244(6) Uani 1 1 d . . . . .
H53A H 0.0749 -0.0060 0.3881 0.029 Uiso 1 1 calc R . . . .
H53B H 0.1377 0.0404 0.4502 0.029 Uiso 1 1 calc R . . . .
C33 C 0.3857(3) 0.53702(15) 0.27129(13) 0.0251(6) Uani 1 1 d . . . . .
H33A H 0.3314 0.5494 0.2398 0.038 Uiso 1 1 calc GR . . . .
H33B H 0.3723 0.5555 0.3105 0.038 Uiso 1 1 calc GR . . . .
H33C H 0.3684 0.4837 0.2702 0.038 Uiso 1 1 calc GR . . . .
C62 C -0.1548(3) 0.10351(15) 0.04916(12) 0.0232(6) Uani 1 1 d . . . . .
H62A H -0.2409 0.0727 0.0400 0.028 Uiso 1 1 calc R . . . .
H62B H -0.1531 0.1555 0.0483 0.028 Uiso 1 1 calc R . . . .
C71 C -0.3461(3) -0.13381(15) 0.28836(14) 0.0274(7) Uani 1 1 d . . . . .
H71A H -0.3853 -0.1281 0.2488 0.041 Uiso 1 1 calc GR . . . .
H71B H -0.4087 -0.1509 0.3152 0.041 Uiso 1 1 calc GR . . . .
H71C H -0.3010 -0.1696 0.2845 0.041 Uiso 1 1 calc GR . . . .
C44 C -0.1576(3) 0.21032(17) 0.46066(13) 0.0298(7) Uani 1 1 d . . . . .
H44A H -0.2164 0.2377 0.4496 0.036 Uiso 1 1 calc R . . . .
H44B H -0.2046 0.1608 0.4702 0.036 Uiso 1 1 calc R . . . .
C60 C -0.3674(2) -0.03641(14) 0.14196(14) 0.0239(6) Uani 1 1 d . . . . .
H60A H -0.3171 -0.0557 0.1715 0.029 Uiso 1 1 calc R . . . .
H60B H -0.3367 -0.0386 0.1026 0.029 Uiso 1 1 calc R . . . .
C10 C 0.4150(3) 0.41762(16) 0.42997(13) 0.0240(6) Uani 1 1 d . . . . .
H10A H 0.4502 0.4693 0.4462 0.029 Uiso 1 1 calc R . . . .
H10B H 0.3269 0.4092 0.4170 0.029 Uiso 1 1 calc R . . . .
C39 C -0.0119(2) 0.32415(14) 0.22569(12) 0.0191(6) Uani 1 1 d . . . . .
H39 H -0.0339 0.3611 0.2045 0.023 Uiso 1 1 calc R . . . .
C9 C 0.4301(3) 0.36580(16) 0.48075(13) 0.0242(6) Uani 1 1 d . . . . .
H9A H 0.3841 0.3145 0.4666 0.029 Uiso 1 1 calc R . . . .
H9B H 0.3955 0.3793 0.5165 0.029 Uiso 1 1 calc R . . . .
C70 C -0.1850(3) -0.06002(15) 0.40324(12) 0.0241(6) Uani 1 1 d . . . . .
H70A H -0.1391 -0.0957 0.4021 0.036 Uiso 1 1 calc GR . . . .
H70B H -0.2580 -0.0799 0.4231 0.036 Uiso 1 1 calc GR . . . .
H70C H -0.1335 -0.0146 0.4255 0.036 Uiso 1 1 calc GR . . . .
C17 C 0.9369(2) 0.43737(15) 0.39998(14) 0.0250(6) Uani 1 1 d . . . . .
H17A H 0.9010 0.4470 0.4365 0.030 Uiso 1 1 calc R . . . .
H17B H 0.9257 0.3841 0.3947 0.030 Uiso 1 1 calc R . . . .
C49 C 0.3341(2) 0.14419(15) 0.40759(13) 0.0236(6) Uani 1 1 d . . . . .
H49A H 0.3670 0.1866 0.3842 0.028 Uiso 1 1 calc R . . . .
H49B H 0.3236 0.1630 0.4478 0.028 Uiso 1 1 calc R . . . .
C47 C 0.1027(3) 0.20143(16) 0.47963(13) 0.0250(6) Uani 1 1 d . . . . .
H47A H 0.1593 0.1728 0.4914 0.030 Uiso 1 1 calc R . . . .
H47B H 0.1520 0.2502 0.4697 0.030 Uiso 1 1 calc R . . . .
C16 C 1.0778(3) 0.48041(16) 0.40787(14) 0.0287(7) Uani 1 1 d . . . . .
H16A H 1.1178 0.4665 0.4447 0.034 Uiso 1 1 calc R . . . .
H16B H 1.1152 0.4663 0.3733 0.034 Uiso 1 1 calc R . . . .
C65 C 0.1137(2) 0.11448(14) 0.07852(12) 0.0213(6) Uani 1 1 d . . . . .
H65A H 0.2005 0.1440 0.0875 0.026 Uiso 1 1 calc R . . . .
H65B H 0.1094 0.0622 0.0800 0.026 Uiso 1 1 calc R . . . .
C20 C 0.3657(3) 0.49698(15) 0.09247(14) 0.0255(6) Uani 1 1 d . . . . .
H20A H 0.3825 0.4815 0.0525 0.031 Uiso 1 1 calc R . . . .
H20B H 0.4442 0.5264 0.1153 0.031 Uiso 1 1 calc R . . . .
C36 C 0.7018(3) 0.57140(17) 0.09823(13) 0.0298(7) Uani 1 1 d . . . . .
H36A H 0.6531 0.5248 0.0767 0.045 Uiso 1 1 calc GR . . . .
H36B H 0.7756 0.5917 0.0790 0.045 Uiso 1 1 calc GR . . . .
H36C H 0.6535 0.6059 0.0974 0.045 Uiso 1 1 calc GR . . . .
C51 C 0.3762(3) 0.02692(16) 0.44859(14) 0.0288(7) Uani 1 1 d . . . . .
H51A H 0.3688 0.0419 0.4904 0.035 Uiso 1 1 calc R . . . .
H51B H 0.4343 -0.0024 0.4499 0.035 Uiso 1 1 calc R . . . .
C8 C 0.5694(2) 0.37175(15) 0.49868(12) 0.0220(6) Uani 1 1 d . . . . .
H8A H 0.5757 0.3357 0.5282 0.026 Uiso 1 1 calc R . . . .
H8B H 0.6132 0.4213 0.5178 0.026 Uiso 1 1 calc R . . . .
C52 C 0.2472(3) -0.02141(15) 0.41692(15) 0.0287(7) Uani 1 1 d . . . . .
H52A H 0.2148 -0.0634 0.4409 0.034 Uiso 1 1 calc R . . . .
H52B H 0.2565 -0.0410 0.3768 0.034 Uiso 1 1 calc R . . . .
C72 C -0.3320(3) 0.02619(17) 0.33153(15) 0.0334(7) Uani 1 1 d . . . . .
H72A H -0.2906 0.0741 0.3180 0.050 Uiso 1 1 calc GR . . . .
H72B H -0.3428 0.0318 0.3739 0.050 Uiso 1 1 calc GR . . . .
H72C H -0.4120 0.0059 0.3077 0.050 Uiso 1 1 calc GR . . . .
C63 C -0.0772(3) 0.08480(16) -0.00011(13) 0.0267(7) Uani 1 1 d . . . . .
H63A H -0.0871 0.0316 -0.0024 0.032 Uiso 1 1 calc R . . . .
H63B H -0.1090 0.0969 -0.0397 0.032 Uiso 1 1 calc R . . . .
C14 C 1.0303(3) 0.59007(16) 0.35685(14) 0.0294(7) Uani 1 1 d . . . . .
H14A H 1.0640 0.5802 0.3197 0.035 Uiso 1 1 calc R . . . .
H14B H 1.0422 0.6434 0.3623 0.035 Uiso 1 1 calc R . . . .
C57 C -0.5764(3) 0.02732(16) 0.11073(15) 0.0310(7) Uani 1 1 d . . . . .
H57A H -0.6098 0.0294 0.1494 0.037 Uiso 1 1 calc R . . . .
H57B H -0.6259 0.0461 0.0804 0.037 Uiso 1 1 calc R . . . .
C24 C 0.1795(3) 0.38017(15) 0.09211(15) 0.0298(7) Uani 1 1 d . . . . .
H24A H 0.1906 0.3614 0.0520 0.036 Uiso 1 1 calc R . . . .
H24B H 0.1432 0.3377 0.1149 0.036 Uiso 1 1 calc R . . . .
C34 C 0.8607(3) 0.64981(15) 0.21273(14) 0.0277(7) Uani 1 1 d . . . . .
H34A H 0.8181 0.6763 0.2365 0.042 Uiso 1 1 calc GR . . . .
H34B H 0.8912 0.6785 0.1795 0.042 Uiso 1 1 calc GR . . . .
H34C H 0.9294 0.6421 0.2382 0.042 Uiso 1 1 calc GR . . . .
C64 C 0.0628(3) 0.12817(16) 0.01396(13) 0.0277(7) Uani 1 1 d . . . . .
H64A H 0.1086 0.1120 -0.0160 0.033 Uiso 1 1 calc R . . . .
H64B H 0.0744 0.1812 0.0112 0.033 Uiso 1 1 calc R . . . .
C50 C 0.4268(3) 0.09696(16) 0.41408(14) 0.0266(7) Uani 1 1 d . . . . .
H50A H 0.4422 0.0819 0.3737 0.032 Uiso 1 1 calc R . . . .
H50B H 0.5056 0.1275 0.4359 0.032 Uiso 1 1 calc R . . . .
C45 C -0.0689(3) 0.25062(17) 0.51718(14) 0.0338(7) Uani 1 1 d . . . . .
H45A H -0.1161 0.2516 0.5514 0.041 Uiso 1 1 calc R . . . .
H45B H -0.0283 0.3019 0.5091 0.041 Uiso 1 1 calc R . . . .
C59 C -0.5051(3) -0.08537(16) 0.13688(15) 0.0335(8) Uani 1 1 d . . . . .
H59A H -0.5113 -0.1363 0.1232 0.040 Uiso 1 1 calc R . . . .
H59B H -0.5342 -0.0859 0.1768 0.040 Uiso 1 1 calc R . . . .
C22 C 0.1465(3) 0.50005(16) 0.05152(14) 0.0306(7) Uani 1 1 d . . . . .
H22A H 0.0908 0.5309 0.0499 0.037 Uiso 1 1 calc R . . . .
H22B H 0.1552 0.4853 0.0099 0.037 Uiso 1 1 calc R . . . .
C56 C -0.4398(2) 0.07800(15) 0.11769(14) 0.0248(6) Uani 1 1 d . . . . .
H56A H -0.4359 0.1278 0.1334 0.030 Uiso 1 1 calc R . . . .
H56B H -0.4097 0.0817 0.0780 0.030 Uiso 1 1 calc R . . . .
C46 C 0.0306(3) 0.21095(16) 0.53395(13) 0.0273(7) Uani 1 1 d . . . . .
H46A H -0.0095 0.1621 0.5473 0.033 Uiso 1 1 calc R . . . .
H46B H 0.0893 0.2397 0.5678 0.033 Uiso 1 1 calc R . . . .
C21 C 0.2752(3) 0.54535(16) 0.08493(16) 0.0323(7) Uani 1 1 d . . . . .
H21A H 0.2648 0.5645 0.1250 0.039 Uiso 1 1 calc R . . . .
H21B H 0.3112 0.5877 0.0620 0.039 Uiso 1 1 calc R . . . .
C75 C 0.1930(3) 0.76283(16) 0.18795(16) 0.0347(8) Uani 1 1 d . . . . .
H75A H 0.1169 0.7724 0.1976 0.042 Uiso 1 1 calc R . . . .
H75B H 0.2494 0.8098 0.1784 0.042 Uiso 1 1 calc R . . . .
C15 C 1.1007(3) 0.56531(15) 0.41226(14) 0.0279(7) Uani 1 1 d . . . . .
H15A H 1.1894 0.5903 0.4139 0.034 Uiso 1 1 calc R . . . .
H15B H 1.0732 0.5803 0.4497 0.034 Uiso 1 1 calc R . . . .
C35 C 0.8479(3) 0.48965(18) 0.17460(17) 0.0415(9) Uani 1 1 d . . . . .
H35A H 0.8961 0.4909 0.2134 0.062 Uiso 1 1 calc GR . . . .
H35B H 0.9030 0.5055 0.1442 0.062 Uiso 1 1 calc GR . . . .
H35C H 0.7952 0.4396 0.1632 0.062 Uiso 1 1 calc GR . . . .
C78 C 0.3542(3) 0.76047(17) 0.35711(16) 0.0366(8) Uani 1 1 d . . . . .
H78A H 0.2938 0.7169 0.3695 0.044 Uiso 1 1 calc R . . . .
H78B H 0.4230 0.7447 0.3445 0.044 Uiso 1 1 calc R . . . .
C23 C 0.0910(3) 0.42999(16) 0.08513(16) 0.0328(7) Uani 1 1 d . . . . .
H23A H 0.0119 0.4010 0.0626 0.039 Uiso 1 1 calc R . . . .
H23B H 0.0751 0.4452 0.1254 0.039 Uiso 1 1 calc R . . . .
C58 C -0.5880(3) -0.05476(16) 0.09126(15) 0.0343(8) Uani 1 1 d . . . . .
H58A H -0.6742 -0.0850 0.0897 0.041 Uiso 1 1 calc R . . . .
H58B H -0.5630 -0.0578 0.0507 0.041 Uiso 1 1 calc R . . . .
C30 C 0.5896(3) 0.3093(2) 0.10129(15) 0.0433(9) Uani 1 1 d . . . . .
H30A H 0.5513 0.2623 0.1181 0.052 Uiso 1 1 calc R . . . .
H30B H 0.6512 0.3409 0.1328 0.052 Uiso 1 1 calc R . . . .
C27 C 0.4573(3) 0.28156(19) -0.02520(14) 0.0412(9) Uani 1 1 d . . . . .
H27A H 0.3953 0.2474 -0.0551 0.049 Uiso 1 1 calc R . . . .
H27B H 0.4921 0.3273 -0.0445 0.049 Uiso 1 1 calc R . . . .
C79 C 0.4031(3) 0.81784(18) 0.41244(17) 0.0445(9) Uani 1 1 d . . . . .
H79A H 0.4652 0.8605 0.4011 0.067 Uiso 1 1 calc GR . . . .
H79B H 0.4393 0.7957 0.4451 0.067 Uiso 1 1 calc GR . . . .
H79C H 0.3354 0.8332 0.4258 0.067 Uiso 1 1 calc GR . . . .
C76 C 0.2531(3) 0.73495(17) 0.24455(16) 0.0390(8) Uani 1 1 d . . . . .
H76A H 0.1944 0.6893 0.2548 0.047 Uiso 1 1 calc R . . . .
H76B H 0.3260 0.7224 0.2336 0.047 Uiso 1 1 calc R . . . .
C74 C 0.1624(3) 0.70717(18) 0.13136(16) 0.0450(9) Uani 1 1 d . . . . .
H74A H 0.1105 0.6594 0.1418 0.054 Uiso 1 1 calc R . . . .
H74B H 0.2394 0.7000 0.1204 0.054 Uiso 1 1 calc R . . . .
C77 C 0.2928(3) 0.78969(17) 0.30193(16) 0.0365(8) Uani 1 1 d . . . . .
H77A H 0.2199 0.8016 0.3136 0.044 Uiso 1 1 calc R . . . .
H77B H 0.3508 0.8357 0.2918 0.044 Uiso 1 1 calc R . . . .
C26 C 0.3931(3) 0.2994(2) 0.03009(14) 0.0416(9) Uani 1 1 d . . . . .
H26A H 0.3340 0.3257 0.0166 0.050 Uiso 1 1 calc R . . . .
H26B H 0.3471 0.2530 0.0455 0.050 Uiso 1 1 calc R . . . .
C29 C 0.6545(4) 0.2947(2) 0.04535(15) 0.0543(11) Uani 1 1 d . . . . .
H29A H 0.6975 0.3421 0.0304 0.065 Uiso 1 1 calc R . . . .
H29B H 0.7163 0.2699 0.0581 0.065 Uiso 1 1 calc R . . . .
C73 C 0.0953(4) 0.7314(2) 0.07548(17) 0.0545(10) Uani 1 1 d . . . . .
H73A H 0.0764 0.6931 0.0425 0.082 Uiso 1 1 calc GR . . . .
H73B H 0.1482 0.7771 0.0630 0.082 Uiso 1 1 calc GR . . . .
H73C H 0.0194 0.7392 0.0859 0.082 Uiso 1 1 calc GR . . . .
C28 C 0.5618(4) 0.24649(19) -0.00623(16) 0.0557(11) Uani 1 1 d . . . . .
H28A H 0.5256 0.1970 0.0071 0.067 Uiso 1 1 calc R . . . .
H28B H 0.6049 0.2412 -0.0412 0.067 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P2 Ni1 P1 160.39(3) . .
N2 Ni1 P1 101.40(6) . .
N2 Ni1 P2 98.22(6) . .
N1 Ni1 P1 79.55(7) . .
N1 Ni1 P2 80.83(7) . .
N1 Ni1 N2 179.05(9) . .
P4 Ni2 P3 162.51(3) . .
N3 Ni2 P3 81.30(6) . .
N3 Ni2 P4 81.24(6) . .
N3 Ni2 N4 179.26(9) . .
N4 Ni2 P3 99.41(6) . .
N4 Ni2 P4 98.04(6) . .
C5 P1 Ni1 101.26(9) . .
C5 P1 C6 106.79(12) . .
C5 P1 C12 102.28(12) . .
C6 P1 Ni1 110.35(8) . .
C12 P1 Ni1 127.22(9) . .
C12 P1 C6 106.88(12) . .
C18 P2 Ni1 100.83(9) . .
C18 P2 C19 103.29(11) . .
C18 P2 C25 106.22(12) . .
C19 P2 Ni1 124.40(8) . .
C19 P2 C25 108.93(12) . .
C25 P2 Ni1 111.08(8) . .
C41 P3 Ni2 101.96(8) . .
C41 P3 C42 105.38(12) . .
C41 P3 C48 104.29(12) . .
C42 P3 Ni2 110.95(8) . .
C48 P3 Ni2 123.18(8) . .
C48 P3 C42 109.16(11) . .
C61 P4 Ni2 107.70(8) . .
C61 P4 C55 108.66(12) . .
C54 P4 Ni2 102.65(9) . .
C54 P4 C61 106.98(12) . .
C54 P4 C55 103.95(12) . .
C55 P4 Ni2 125.43(9) . .
N2 Si1 C31 114.73(12) . .
N2 Si1 C32 112.29(12) . .
N2 Si1 C33 114.93(11) . .
C31 Si1 C32 105.35(13) . .
C31 Si1 C33 103.44(13) . .
C32 Si1 C33 105.05(13) . .
N4 Si4 C71 113.12(12) . .
N4 Si4 C70 116.09(11) . .
N4 Si4 C72 113.11(12) . .
C71 Si4 C70 102.61(13) . .
C72 Si4 C71 106.64(14) . .
C72 Si4 C70 104.18(13) . .
N4 Si3 C69 112.58(11) . .
N4 Si3 C67 116.85(11) . .
N4 Si3 C68 113.78(11) . .
C69 Si3 C67 102.73(12) . .
C68 Si3 C69 106.79(13) . .
C68 Si3 C67 102.89(13) . .
N2 Si2 C36 115.69(12) . .
N2 Si2 C34 113.94(12) . .
N2 Si2 C35 113.03(12) . .
C36 Si2 C34 103.32(13) . .
C36 Si2 C35 104.19(15) . .
C35 Si2 C34 105.50(15) . .
C37 N3 Ni2 126.62(17) . .
C37 N3 C40 106.8(2) . .
C40 N3 Ni2 126.59(16) . .
Si1 N2 Ni1 121.16(12) . .
Si2 N2 Ni1 117.62(11) . .
Si2 N2 Si1 121.16(12) . .
C1 N1 Ni1 127.25(17) . .
C4 N1 Ni1 126.20(16) . .
C4 N1 C1 106.4(2) . .
Si4 N4 Ni2 116.93(11) . .
Si4 N4 Si3 120.21(11) . .
Si3 N4 Ni2 122.86(12) . .
P4 C61 H61 106.2 . .
C66 C61 P4 110.26(17) . .
C66 C61 H61 106.2 . .
C66 C61 C62 109.4(2) . .
C62 C61 P4 117.81(18) . .
C62 C61 H61 106.2 . .
P3 C41 H41A 110.5 . .
P3 C41 H41B 110.5 . .
H41A C41 H41B 108.7 . .
C37 C41 P3 106.09(17) . .
C37 C41 H41A 110.5 . .
C37 C41 H41B 110.5 . .
P2 C18 H18A 110.7 . .
P2 C18 H18B 110.7 . .
H18A C18 H18B 108.8 . .
C4 C18 P2 105.27(17) . .
C4 C18 H18A 110.7 . .
C4 C18 H18B 110.7 . .
N3 C37 C41 117.0(2) . .
C38 C37 N3 109.6(2) . .
C38 C37 C41 133.3(2) . .
P3 C42 H42 106.6 . .
C43 C42 P3 110.17(17) . .
C43 C42 H42 106.6 . .
C47 C42 P3 116.60(17) . .
C47 C42 H42 106.6 . .
C47 C42 C43 109.8(2) . .
N3 C40 C54 117.4(2) . .
C39 C40 N3 109.8(2) . .
C39 C40 C54 132.8(2) . .
N1 C1 C5 116.4(2) . .
C2 C1 N1 109.8(2) . .
C2 C1 C5 133.7(2) . .
N1 C4 C18 116.1(2) . .
C3 C4 N1 109.7(2) . .
C3 C4 C18 134.2(2) . .
P1 C5 H5A 110.8 . .
P1 C5 H5B 110.8 . .
C1 C5 P1 104.87(16) . .
C1 C5 H5A 110.8 . .
C1 C5 H5B 110.8 . .
H5A C5 H5B 108.8 . .
P4 C54 H54A 110.6 . .
P4 C54 H54B 110.6 . .
C40 C54 P4 105.47(16) . .
C40 C54 H54A 110.6 . .
C40 C54 H54B 110.6 . .
H54A C54 H54B 108.8 . .
P1 C6 H6 106.8 . .
C11 C6 P1 110.64(18) . .
C11 C6 H6 106.8 . .
C11 C6 C7 108.9(2) . .
C7 C6 P1 116.42(17) . .
C7 C6 H6 106.8 . .
P3 C48 H48 105.2 . .
C53 C48 P3 112.33(17) . .
C53 C48 H48 105.2 . .
C53 C48 C49 110.8(2) . .
C49 C48 P3 116.94(17) . .
C49 C48 H48 105.2 . .
P2 C19 H19 104.7 . .
C20 C19 P2 113.64(17) . .
C20 C19 H19 104.7 . .
C20 C19 C24 110.8(2) . .
C24 C19 P2 116.95(17) . .
C24 C19 H19 104.7 . .
C4 C3 H3 126.5 . .
C4 C3 C2 107.0(2) . .
C2 C3 H3 126.5 . .
Si3 C69 H69A 109.5 . .
Si3 C69 H69B 109.5 . .
Si3 C69 H69C 109.5 . .
H69A C69 H69B 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C61 C66 H66A 109.5 . .
C61 C66 H66B 109.5 . .
C61 C66 C65 110.5(2) . .
H66A C66 H66B 108.1 . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
P2 C25 H25 106.5 . .
C30 C25 P2 110.92(18) . .
C30 C25 H25 106.5 . .
C26 C25 P2 116.03(18) . .
C26 C25 H25 106.5 . .
C26 C25 C30 109.9(2) . .
C6 C11 H11A 109.3 . .
C6 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
C10 C11 C6 111.6(2) . .
C10 C11 H11A 109.3 . .
C10 C11 H11B 109.3 . .
C37 C38 H38A 110.3 . .
C37 C38 H38B 110.3 . .
C37 C38 C39 107.0(2) . .
H38A C38 H38B 108.6 . .
C39 C38 H38A 110.3 . .
C39 C38 H38B 110.3 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C8 C7 C6 110.7(2) . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
P4 C55 H55 105.4 . .
C60 C55 P4 111.80(17) . .
C60 C55 H55 105.4 . .
C60 C55 C56 111.3(2) . .
C56 C55 P4 116.48(18) . .
C56 C55 H55 105.4 . .
Si3 C67 H67A 109.5 . .
Si3 C67 H67B 109.5 . .
Si3 C67 H67C 109.5 . .
H67A C67 H67B 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
P1 C12 H12 105.9 . .
C13 C12 P1 113.07(18) . .
C13 C12 H12 105.9 . .
C13 C12 C17 109.7(2) . .
C17 C12 P1 115.59(18) . .
C17 C12 H12 105.9 . .
C1 C2 C3 107.0(2) . .
C1 C2 H2 126.5 . .
C3 C2 H2 126.5 . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 108.1 . .
C44 C43 C42 110.7(2) . .
C44 C43 H43A 109.5 . .
C44 C43 H43B 109.5 . .
Si1 C31 H31A 109.5 . .
Si1 C31 H31B 109.5 . .
Si1 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Si3 C68 H68A 109.5 . .
Si3 C68 H68B 109.5 . .
Si3 C68 H68C 109.5 . .
H68A C68 H68B 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
Si1 C32 H32A 109.5 . .
Si1 C32 H32B 109.5 . .
Si1 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C12 C13 H13A 109.6 . .
C12 C13 H13B 109.6 . .
C12 C13 C14 110.4(2) . .
H13A C13 H13B 108.1 . .
C14 C13 H13A 109.6 . .
C14 C13 H13B 109.6 . .
C48 C53 H53A 109.5 . .
C48 C53 H53B 109.5 . .
C48 C53 C52 110.6(2) . .
H53A C53 H53B 108.1 . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
Si1 C33 H33A 109.5 . .
Si1 C33 H33B 109.5 . .
Si1 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 108.0 . .
C63 C62 C61 110.9(2) . .
C63 C62 H62A 109.5 . .
C63 C62 H62B 109.5 . .
Si4 C71 H71A 109.5 . .
Si4 C71 H71B 109.5 . .
Si4 C71 H71C 109.5 . .
H71A C71 H71B 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C43 C44 H44A 109.4 . .
C43 C44 H44B 109.4 . .
H44A C44 H44B 108.0 . .
C45 C44 C43 111.3(2) . .
C45 C44 H44A 109.4 . .
C45 C44 H44B 109.4 . .
C55 C60 H60A 109.5 . .
C55 C60 H60B 109.5 . .
C55 C60 C59 110.8(2) . .
H60A C60 H60B 108.1 . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
C11 C10 H10A 109.2 . .
C11 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
C9 C10 C11 111.9(2) . .
C9 C10 H10A 109.2 . .
C9 C10 H10B 109.2 . .
C40 C39 C38 106.8(2) . .
C40 C39 H39 126.6 . .
C38 C39 H39 126.6 . .
C10 C9 H9A 109.4 . .
C10 C9 H9B 109.4 . .
C10 C9 C8 111.2(2) . .
H9A C9 H9B 108.0 . .
C8 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
Si4 C70 H70A 109.5 . .
Si4 C70 H70B 109.5 . .
Si4 C70 H70C 109.5 . .
H70A C70 H70B 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 108.1 . .
C16 C17 C12 110.6(2) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C48 C49 H49A 109.8 . .
C48 C49 H49B 109.8 . .
H49A C49 H49B 108.2 . .
C50 C49 C48 109.6(2) . .
C50 C49 H49A 109.8 . .
C50 C49 H49B 109.8 . .
C42 C47 H47A 109.4 . .
C42 C47 H47B 109.4 . .
H47A C47 H47B 108.0 . .
C46 C47 C42 111.4(2) . .
C46 C47 H47A 109.4 . .
C46 C47 H47B 109.4 . .
C17 C16 H16A 109.3 . .
C17 C16 H16B 109.3 . .
H16A C16 H16B 107.9 . .
C15 C16 C17 111.7(2) . .
C15 C16 H16A 109.3 . .
C15 C16 H16B 109.3 . .
C66 C65 H65A 109.4 . .
C66 C65 H65B 109.4 . .
H65A C65 H65B 108.0 . .
C64 C65 C66 111.1(2) . .
C64 C65 H65A 109.4 . .
C64 C65 H65B 109.4 . .
C19 C20 H20A 109.6 . .
C19 C20 H20B 109.6 . .
C19 C20 C21 110.4(2) . .
H20A C20 H20B 108.1 . .
C21 C20 H20A 109.6 . .
C21 C20 H20B 109.6 . .
Si2 C36 H36A 109.5 . .
Si2 C36 H36B 109.5 . .
Si2 C36 H36C 109.5 . .
H36A C36 H36B 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
H51A C51 H51B 108.1 . .
C52 C51 H51A 109.5 . .
C52 C51 H51B 109.5 . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
C50 C51 C52 110.8(2) . .
C7 C8 H8A 109.4 . .
C7 C8 H8B 109.4 . .
C9 C8 C7 111.1(2) . .
C9 C8 H8A 109.4 . .
C9 C8 H8B 109.4 . .
H8A C8 H8B 108.0 . .
C53 C52 H52A 109.4 . .
C53 C52 H52B 109.4 . .
C51 C52 C53 111.3(2) . .
C51 C52 H52A 109.4 . .
C51 C52 H52B 109.4 . .
H52A C52 H52B 108.0 . .
Si4 C72 H72A 109.5 . .
Si4 C72 H72B 109.5 . .
Si4 C72 H72C 109.5 . .
H72A C72 H72B 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C62 C63 H63A 109.1 . .
C62 C63 H63B 109.1 . .
H63A C63 H63B 107.9 . .
C64 C63 C62 112.3(2) . .
C64 C63 H63A 109.1 . .
C64 C63 H63B 109.1 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
C15 C14 C13 110.5(2) . .
C15 C14 H14A 109.5 . .
C15 C14 H14B 109.5 . .
H57A C57 H57B 107.9 . .
C56 C57 H57A 109.2 . .
C56 C57 H57B 109.2 . .
C58 C57 H57A 109.2 . .
C58 C57 H57B 109.2 . .
C58 C57 C56 112.2(2) . .
C19 C24 H24A 109.8 . .
C19 C24 H24B 109.8 . .
H24A C24 H24B 108.2 . .
C23 C24 C19 109.4(2) . .
C23 C24 H24A 109.8 . .
C23 C24 H24B 109.8 . .
Si2 C34 H34A 109.5 . .
Si2 C34 H34B 109.5 . .
Si2 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C65 C64 C63 110.3(2) . .
C65 C64 H64A 109.6 . .
C65 C64 H64B 109.6 . .
C63 C64 H64A 109.6 . .
C63 C64 H64B 109.6 . .
H64A C64 H64B 108.1 . .
C49 C50 H50A 109.3 . .
C49 C50 H50B 109.3 . .
C51 C50 C49 111.8(2) . .
C51 C50 H50A 109.3 . .
C51 C50 H50B 109.3 . .
H50A C50 H50B 107.9 . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
C44 C45 C46 110.8(2) . .
H45A C45 H45B 108.1 . .
C46 C45 H45A 109.5 . .
C46 C45 H45B 109.5 . .
C60 C59 H59A 109.5 . .
C60 C59 H59B 109.5 . .
H59A C59 H59B 108.1 . .
C58 C59 C60 110.6(2) . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
H22A C22 H22B 108.1 . .
C21 C22 H22A 109.6 . .
C21 C22 H22B 109.6 . .
C23 C22 H22A 109.6 . .
C23 C22 H22B 109.6 . .
C23 C22 C21 110.2(2) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
C57 C56 C55 110.6(2) . .
C57 C56 H56A 109.5 . .
C57 C56 H56B 109.5 . .
H56A C56 H56B 108.1 . .
C47 C46 H46A 109.1 . .
C47 C46 H46B 109.1 . .
C45 C46 C47 112.5(2) . .
C45 C46 H46A 109.1 . .
C45 C46 H46B 109.1 . .
H46A C46 H46B 107.8 . .
C20 C21 H21A 109.3 . .
C20 C21 H21B 109.3 . .
C22 C21 C20 111.7(2) . .
C22 C21 H21A 109.3 . .
C22 C21 H21B 109.3 . .
H21A C21 H21B 107.9 . .
H75A C75 H75B 107.8 . .
C76 C75 H75A 108.9 . .
C76 C75 H75B 108.9 . .
C74 C75 H75A 108.9 . .
C74 C75 H75B 108.9 . .
C74 C75 C76 113.2(3) . .
C16 C15 C14 111.5(2) . .
C16 C15 H15A 109.3 . .
C16 C15 H15B 109.3 . .
C14 C15 H15A 109.3 . .
C14 C15 H15B 109.3 . .
H15A C15 H15B 108.0 . .
Si2 C35 H35A 109.5 . .
Si2 C35 H35B 109.5 . .
Si2 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
H78A C78 H78B 107.6 . .
C79 C78 H78A 108.7 . .
C79 C78 H78B 108.7 . .
C79 C78 C77 114.1(3) . .
C77 C78 H78A 108.7 . .
C77 C78 H78B 108.7 . .
C24 C23 H23A 109.2 . .
C24 C23 H23B 109.2 . .
C22 C23 C24 112.0(2) . .
C22 C23 H23A 109.2 . .
C22 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
C59 C58 C57 110.6(2) . .
C59 C58 H58A 109.5 . .
C59 C58 H58B 109.5 . .
H58A C58 H58B 108.1 . .
C25 C30 H30A 109.5 . .
C25 C30 H30B 109.5 . .
C25 C30 C29 110.7(2) . .
H30A C30 H30B 108.1 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H27A C27 H27B 107.9 . .
C26 C27 H27A 109.1 . .
C26 C27 H27B 109.1 . .
C28 C27 H27A 109.1 . .
C28 C27 H27B 109.1 . .
C28 C27 C26 112.4(3) . .
C78 C79 H79A 109.5 . .
C78 C79 H79B 109.5 . .
C78 C79 H79C 109.5 . .
H79A C79 H79B 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C75 C76 H76A 108.3 . .
C75 C76 H76B 108.3 . .
H76A C76 H76B 107.4 . .
C77 C76 C75 116.0(3) . .
C77 C76 H76A 108.3 . .
C77 C76 H76B 108.3 . .
C75 C74 H74A 108.7 . .
C75 C74 H74B 108.7 . .
C75 C74 C73 114.2(3) . .
H74A C74 H74B 107.6 . .
C73 C74 H74A 108.7 . .
C73 C74 H74B 108.7 . .
C78 C77 H77A 108.6 . .
C78 C77 H77B 108.6 . .
C76 C77 C78 114.5(3) . .
C76 C77 H77A 108.6 . .
C76 C77 H77B 108.6 . .
H77A C77 H77B 107.6 . .
C25 C26 C27 111.9(2) . .
C25 C26 H26A 109.2 . .
C25 C26 H26B 109.2 . .
C27 C26 H26A 109.2 . .
C27 C26 H26B 109.2 . .
H26A C26 H26B 107.9 . .
C30 C29 H29A 109.2 . .
C30 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
C28 C29 C30 111.9(3) . .
C28 C29 H29A 109.2 . .
C28 C29 H29B 109.2 . .
C74 C73 H73A 109.5 . .
C74 C73 H73B 109.5 . .
C74 C73 H73C 109.5 . .
H73A C73 H73B 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
C29 C28 C27 110.9(3) . .
C29 C28 H28A 109.5 . .
C29 C28 H28B 109.5 . .
H28A C28 H28B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 P1 2.3229(8) .
Ni1 P2 2.2941(8) .
Ni1 N2 1.984(2) .
Ni1 N1 1.923(2) .
Ni2 P3 2.2946(8) .
Ni2 P4 2.2887(8) .
Ni2 N3 1.926(2) .
Ni2 N4 1.990(2) .
P1 C5 1.862(2) .
P1 C6 1.888(3) .
P1 C12 1.869(3) .
P2 C18 1.851(2) .
P2 C19 1.875(2) .
P2 C25 1.886(3) .
P3 C41 1.858(2) .
P3 C42 1.879(3) .
P3 C48 1.874(2) .
P4 C61 1.876(3) .
P4 C54 1.863(2) .
P4 C55 1.878(3) .
Si1 N2 1.741(2) .
Si1 C31 1.910(3) .
Si1 C32 1.914(3) .
Si1 C33 1.916(3) .
Si4 N4 1.741(2) .
Si4 C71 1.909(3) .
Si4 C70 1.915(3) .
Si4 C72 1.910(3) .
Si3 N4 1.746(2) .
Si3 C69 1.915(3) .
Si3 C67 1.916(3) .
Si3 C68 1.901(3) .
Si2 N2 1.736(2) .
Si2 C36 1.901(3) .
Si2 C34 1.914(3) .
Si2 C35 1.908(3) .
N3 C37 1.398(3) .
N3 C40 1.403(3) .
N1 C1 1.404(3) .
N1 C4 1.401(3) .
C61 H61 0.9800 .
C61 C66 1.554(4) .
C61 C62 1.559(4) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C41 C37 1.504(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 C4 1.508(3) .
C37 C38 1.397(3) .
C42 H42 0.9800 .
C42 C43 1.560(3) .
C42 C47 1.555(3) .
C40 C54 1.511(4) .
C40 C39 1.394(4) .
C1 C5 1.517(4) .
C1 C2 1.391(4) .
C4 C3 1.395(3) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C6 H6 0.9800 .
C6 C11 1.549(4) .
C6 C7 1.564(3) .
C48 H48 0.9800 .
C48 C53 1.551(3) .
C48 C49 1.559(4) .
C19 H19 0.9800 .
C19 C20 1.543(3) .
C19 C24 1.561(4) .
C3 H3 0.9300 .
C3 C2 1.431(4) .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C66 C65 1.555(4) .
C25 H25 0.9800 .
C25 C30 1.550(4) .
C25 C26 1.549(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 C10 1.545(4) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C38 C39 1.437(4) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 C8 1.552(4) .
C55 H55 0.9800 .
C55 C60 1.547(4) .
C55 C56 1.561(3) .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C12 H12 0.9800 .
C12 C13 1.545(4) .
C12 C17 1.563(4) .
C2 H2 0.9300 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C43 C44 1.554(4) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 C14 1.551(4) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C53 C52 1.553(3) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C62 C63 1.554(4) .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 C45 1.531(4) .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C60 C59 1.548(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 C9 1.542(4) .
C39 H39 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 C8 1.551(4) .
C70 H70A 0.9600 .
C70 H70B 0.9600 .
C70 H70C 0.9600 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 C16 1.548(4) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C49 C50 1.557(3) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C47 C46 1.548(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 C15 1.534(4) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C65 C64 1.539(4) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 C21 1.554(4) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C51 C52 1.548(4) .
C51 C50 1.539(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C72 H72A 0.9600 .
C72 H72B 0.9600 .
C72 H72C 0.9600 .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C63 C64 1.544(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 C15 1.550(4) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C57 C56 1.546(4) .
C57 C58 1.544(4) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 C23 1.556(4) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C45 C46 1.542(4) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C59 C58 1.544(4) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 C21 1.543(4) .
C22 C23 1.539(4) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C75 C76 1.542(4) .
C75 C74 1.534(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C78 C79 1.533(5) .
C78 C77 1.537(4) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 C29 1.552(4) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 C26 1.553(4) .
C27 C28 1.541(5) .
C79 H79A 0.9600 .
C79 H79B 0.9600 .
C79 H79C 0.9600 .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C76 C77 1.535(5) .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C74 C73 1.534(5) .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 C28 1.523(5) .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
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
Ni1 P1 C5 C1 -31.07(18) . . . .
Ni1 P1 C6 C11 11.01(19) . . . .
Ni1 P1 C6 C7 135.95(17) . . . .
Ni1 P1 C12 C13 62.0(2) . . . .
Ni1 P1 C12 C17 -170.47(15) . . . .
Ni1 P2 C18 C4 -32.48(17) . . . .
Ni1 P2 C19 C20 77.1(2) . . . .
Ni1 P2 C19 C24 -151.71(18) . . . .
Ni1 P2 C25 C30 35.6(2) . . . .
Ni1 P2 C25 C26 161.9(2) . . . .
Ni1 N1 C1 C5 3.4(3) . . . .
Ni1 N1 C1 C2 -176.40(18) . . . .
Ni1 N1 C4 C18 -3.6(3) . . . .
Ni1 N1 C4 C3 176.72(17) . . . .
Ni2 P3 C41 C37 26.30(18) . . . .
Ni2 P3 C42 C43 -42.88(19) . . . .
Ni2 P3 C42 C47 -168.85(16) . . . .
Ni2 P3 C48 C53 -81.4(2) . . . .
Ni2 P3 C48 C49 148.88(17) . . . .
Ni2 P4 C61 C66 -40.81(18) . . . .
Ni2 P4 C61 C62 -167.32(16) . . . .
Ni2 P4 C54 C40 25.50(18) . . . .
Ni2 P4 C55 C60 -78.4(2) . . . .
Ni2 P4 C55 C56 152.01(16) . . . .
Ni2 N3 C37 C41 3.1(3) . . . .
Ni2 N3 C37 C38 -179.92(17) . . . .
Ni2 N3 C40 C54 1.7(3) . . . .
Ni2 N3 C40 C39 -179.77(17) . . . .
P1 C6 C11 C10 -173.30(17) . . . .
P1 C6 C7 C8 175.71(17) . . . .
P1 C12 C13 C14 -170.36(19) . . . .
P1 C12 C17 C16 173.24(19) . . . .
P2 C18 C4 N1 26.0(3) . . . .
P2 C18 C4 C3 -154.4(3) . . . .
P2 C19 C20 C21 -168.7(2) . . . .
P2 C19 C24 C23 170.3(2) . . . .
P2 C25 C30 C29 -173.7(3) . . . .
P2 C25 C26 C27 178.5(2) . . . .
P3 C41 C37 N3 -21.2(3) . . . .
P3 C41 C37 C38 162.7(3) . . . .
P3 C42 C43 C44 173.4(2) . . . .
P3 C42 C47 C46 -178.72(18) . . . .
P3 C48 C53 C52 169.75(19) . . . .
P3 C48 C49 C50 -172.25(19) . . . .
P4 C61 C66 C65 170.64(17) . . . .
P4 C61 C62 C63 -176.71(18) . . . .
P4 C55 C60 C59 171.5(2) . . . .
P4 C55 C56 C57 -176.1(2) . . . .
N3 C37 C38 C39 -0.6(3) . . . .
N3 C40 C54 P4 -19.7(3) . . . .
N3 C40 C39 C38 -0.2(3) . . . .
N1 C1 C5 P1 21.5(3) . . . .
N1 C1 C2 C3 -0.1(3) . . . .
N1 C4 C3 C2 -0.6(3) . . . .
C61 P4 C54 C40 -87.72(19) . . . .
C61 P4 C55 C60 50.9(2) . . . .
C61 P4 C55 C56 -78.6(2) . . . .
C61 C66 C65 C64 59.0(3) . . . .
C61 C62 C63 C64 -55.4(3) . . . .
C41 P3 C42 C43 66.7(2) . . . .
C41 P3 C42 C47 -59.2(2) . . . .
C41 P3 C48 C53 163.60(19) . . . .
C41 P3 C48 C49 33.9(2) . . . .
C41 C37 C38 C39 175.7(3) . . . .
C18 P2 C19 C20 -169.55(19) . . . .
C18 P2 C19 C24 -38.4(2) . . . .
C18 P2 C25 C30 -73.2(2) . . . .
C18 P2 C25 C26 53.1(2) . . . .
C18 C4 C3 C2 179.8(3) . . . .
C37 N3 C40 C54 -178.7(2) . . . .
C37 N3 C40 C39 -0.2(3) . . . .
C37 C38 C39 C40 0.5(3) . . . .
C42 P3 C41 C37 -89.64(19) . . . .
C42 P3 C48 C53 51.4(2) . . . .
C42 P3 C48 C49 -78.3(2) . . . .
C42 C43 C44 C45 57.9(3) . . . .
C42 C47 C46 C45 -54.6(3) . . . .
C40 N3 C37 C41 -176.5(2) . . . .
C40 N3 C37 C38 0.5(3) . . . .
C1 N1 C4 C18 -179.8(2) . . . .
C1 N1 C4 C3 0.5(3) . . . .
C4 N1 C1 C5 179.5(2) . . . .
C4 N1 C1 C2 -0.2(3) . . . .
C4 C3 C2 C1 0.4(3) . . . .
C5 P1 C6 C11 -98.23(18) . . . .
C5 P1 C6 C7 26.7(2) . . . .
C5 P1 C12 C13 176.59(19) . . . .
C5 P1 C12 C17 -55.9(2) . . . .
C5 C1 C2 C3 -179.8(3) . . . .
C54 P4 C61 C66 68.94(19) . . . .
C54 P4 C61 C62 -57.6(2) . . . .
C54 P4 C55 C60 164.61(19) . . . .
C54 P4 C55 C56 35.0(2) . . . .
C54 C40 C39 C38 178.1(3) . . . .
C6 P1 C5 C1 84.42(19) . . . .
C6 P1 C12 C13 -71.4(2) . . . .
C6 P1 C12 C17 56.2(2) . . . .
C6 C11 C10 C9 -56.0(3) . . . .
C6 C7 C8 C9 57.5(3) . . . .
C48 P3 C41 C37 155.44(17) . . . .
C48 P3 C42 C43 178.23(18) . . . .
C48 P3 C42 C47 52.3(2) . . . .
C48 C53 C52 C51 56.2(3) . . . .
C48 C49 C50 C51 -56.9(3) . . . .
C19 P2 C18 C4 -161.98(17) . . . .
C19 P2 C25 C30 176.2(2) . . . .
C19 P2 C25 C26 -57.5(2) . . . .
C19 C20 C21 C22 -56.6(3) . . . .
C19 C24 C23 C22 57.1(3) . . . .
C69 Si3 N4 Ni2 140.55(13) . . . .
C69 Si3 N4 Si4 -38.84(18) . . . .
C66 C61 C62 C63 56.4(3) . . . .
C66 C65 C64 C63 -56.2(3) . . . .
C25 P2 C18 C4 83.44(18) . . . .
C25 P2 C19 C20 -56.9(2) . . . .
C25 P2 C19 C24 74.2(2) . . . .
C25 C30 C29 C28 -58.0(4) . . . .
C11 C6 C7 C8 -58.4(3) . . . .
C11 C10 C9 C8 53.5(3) . . . .
C7 C6 C11 C10 57.6(3) . . . .
C55 P4 C61 C66 -179.40(16) . . . .
C55 P4 C61 C62 54.1(2) . . . .
C55 P4 C54 C40 157.41(18) . . . .
C55 C60 C59 C58 57.8(3) . . . .
C67 Si3 N4 Ni2 -100.88(15) . . . .
C67 Si3 N4 Si4 79.72(17) . . . .
C12 P1 C5 C1 -163.49(17) . . . .
C12 P1 C6 C11 152.89(17) . . . .
C12 P1 C6 C7 -82.2(2) . . . .
C12 C13 C14 C15 -58.1(3) . . . .
C12 C17 C16 C15 55.5(3) . . . .
C2 C1 C5 P1 -158.8(3) . . . .
C43 C42 C47 C46 55.1(3) . . . .
C43 C44 C45 C46 -55.9(3) . . . .
C31 Si1 N2 Ni1 90.76(16) . . . .
C31 Si1 N2 Si2 -86.44(17) . . . .
C68 Si3 N4 Ni2 18.88(18) . . . .
C68 Si3 N4 Si4 -160.51(14) . . . .
C32 Si1 N2 Ni1 -148.99(13) . . . .
C32 Si1 N2 Si2 33.81(18) . . . .
C13 C12 C17 C16 -57.5(3) . . . .
C13 C14 C15 C16 55.5(3) . . . .
C53 C48 C49 C50 57.3(3) . . . .
C33 Si1 N2 Ni1 -29.00(18) . . . .
C33 Si1 N2 Si2 153.81(14) . . . .
C62 C61 C66 C65 -58.3(3) . . . .
C62 C63 C64 C65 54.8(3) . . . .
C71 Si4 N4 Ni2 140.88(13) . . . .
C71 Si4 N4 Si3 -39.69(18) . . . .
C44 C45 C46 C47 54.4(3) . . . .
C60 C55 C56 C57 54.1(3) . . . .
C60 C59 C58 C57 -57.3(3) . . . .
C10 C9 C8 C7 -54.5(3) . . . .
C39 C40 C54 P4 162.2(3) . . . .
C70 Si4 N4 Ni2 -100.86(14) . . . .
C70 Si4 N4 Si3 78.57(16) . . . .
C17 C12 C13 C14 59.1(3) . . . .
C17 C16 C15 C14 -54.6(3) . . . .
C49 C48 C53 C52 -57.4(3) . . . .
C47 C42 C43 C44 -56.8(3) . . . .
C20 C19 C24 C23 -57.2(3) . . . .
C36 Si2 N2 Ni1 99.84(15) . . . .
C36 Si2 N2 Si1 -82.87(17) . . . .
C52 C51 C50 C49 56.2(3) . . . .
C72 Si4 N4 Ni2 19.51(18) . . . .
C72 Si4 N4 Si3 -161.07(15) . . . .
C24 C19 C20 C21 57.3(3) . . . .
C34 Si2 N2 Ni1 -140.60(13) . . . .
C34 Si2 N2 Si1 36.69(19) . . . .
C50 C51 C52 C53 -55.4(3) . . . .
C56 C55 C60 C59 -56.3(3) . . . .
C56 C57 C58 C59 56.0(3) . . . .
C21 C22 C23 C24 -56.4(3) . . . .
C75 C76 C77 C78 -179.1(2) . . . .
C35 Si2 N2 Ni1 -20.17(19) . . . .
C35 Si2 N2 Si1 157.12(16) . . . .
C23 C22 C21 C20 55.7(3) . . . .
C58 C57 C56 C55 -54.1(3) . . . .
C30 C25 C26 C27 -54.7(4) . . . .
C30 C29 C28 C27 55.5(4) . . . .
C79 C78 C77 C76 175.3(3) . . . .
C76 C75 C74 C73 176.5(3) . . . .
C74 C75 C76 C77 176.8(3) . . . .
C26 C25 C30 C29 56.6(4) . . . .
C26 C27 C28 C29 -53.1(4) . . . .
C28 C27 C26 C25 53.4(4) . . . .
