#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:57:47 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179086 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/48/4304897.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_4304897
loop_
_publ_author_name
'Benjamin C. Fullmer'
'Maren Pink'
'Hongjun Fan'
'Xiaofan Yang'
'Mu-Hyun Baik'
'Kenneth G. Caulton'
_publ_section_title
;
The Effect of One Valence Electron: Contrasting (PNP)Ni(CO) with
(PNP)Ni(NO) to Understand the Half-Bent NiNO Unit
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3888
_journal_page_last               3892
_journal_paper_doi               10.1021/ic702503m
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C22 H52 N2 Ni O P2 Si2'
_chemical_formula_sum            'C22 H52 N2 Ni O P2 Si2'
_chemical_formula_weight         537.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.558(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.168(5)
_cell_length_b                   10.112(2)
_cell_length_c                   16.372(4)
_cell_measurement_reflns_used    1729
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      2.5
_cell_volume                     2974.3(12)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2003), XTEL (loc. libr.)'
_computing_publication_material  'SHELXTL (Bruker, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details
'0.30 degree frames measured for 50 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0807
_diffrn_reflns_av_sigmaI/netI    0.0841
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16929
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.856
_exptl_absorpt_correction_T_max  0.9584
_exptl_absorpt_correction_T_min  0.9042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing; 1995'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.544
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         5259
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0627P)²+2.4319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1392
_reflns_number_gt                3632
_reflns_number_total             5259
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702503m-file001.cif
_cod_data_source_block           06082
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2974.2(13)
_cod_database_code               4304897
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.22941(3) 0.50165(6) 0.12406(3) 0.01964(17) Uani 1 1 d . . .
P1 P 0.28962(6) 0.60035(11) 0.02921(7) 0.0169(3) Uani 1 1 d . . .
P2 P 0.15139(6) 0.32401(11) 0.14432(7) 0.0167(3) Uani 1 1 d . . .
Si1 Si 0.38814(7) 0.37119(12) 0.10054(7) 0.0172(3) Uani 1 1 d . . .
Si2 Si 0.30552(7) 0.30186(12) 0.24360(7) 0.0196(3) Uani 1 1 d . . .
O1 O 0.1442(2) 0.7228(4) 0.1473(3) 0.0496(11) Uani 1 1 d . . .
N1 N 0.3177(2) 0.3822(4) 0.1564(2) 0.0183(8) Uani 1 1 d . . .
N2 N 0.1865(2) 0.6333(4) 0.1600(2) 0.0307(10) Uani 1 1 d . . .
C1 C 0.4826(2) 0.4150(5) 0.1563(3) 0.0283(11) Uani 1 1 d . . .
H1A H 0.5008 0.3434 0.1943 0.042 Uiso 1 1 calc R . .
H1B H 0.4794 0.4970 0.1876 0.042 Uiso 1 1 calc R . .
H1C H 0.5170 0.4277 0.1162 0.042 Uiso 1 1 calc R . .
C2 C 0.4032(3) 0.2042(5) 0.0567(3) 0.0306(12) Uani 1 1 d . . .
H2A H 0.4222 0.1434 0.1016 0.046 Uiso 1 1 calc R . .
H2B H 0.4395 0.2111 0.0181 0.046 Uiso 1 1 calc R . .
H2C H 0.3560 0.1705 0.0274 0.046 Uiso 1 1 calc R . .
C3 C 0.3590(3) 0.4822(5) 0.0082(3) 0.0247(10) Uani 1 1 d . . .
H3A H 0.4031 0.5300 -0.0057 0.030 Uiso 1 1 calc R . .
H3B H 0.3386 0.4275 -0.0401 0.030 Uiso 1 1 calc R . .
C4 C 0.3450(3) 0.7481(5) 0.0757(3) 0.0268(11) Uani 1 1 d . . .
C5 C 0.4156(3) 0.7705(7) 0.0364(4) 0.0565(18) Uani 1 1 d . . .
H5A H 0.4412 0.8501 0.0600 0.085 Uiso 1 1 calc R . .
H5B H 0.4019 0.7817 -0.0234 0.085 Uiso 1 1 calc R . .
H5C H 0.4486 0.6940 0.0474 0.085 Uiso 1 1 calc R . .
C6 C 0.2994(3) 0.8714(5) 0.0710(4) 0.0525(17) Uani 1 1 d . . .
H6A H 0.3264 0.9397 0.1060 0.079 Uiso 1 1 calc R . .
H6B H 0.2519 0.8529 0.0904 0.079 Uiso 1 1 calc R . .
H6C H 0.2900 0.9024 0.0137 0.079 Uiso 1 1 calc R . .
C7 C 0.3691(3) 0.7176(5) 0.1668(3) 0.0433(15) Uani 1 1 d . . .
H7A H 0.4065 0.7824 0.1905 0.065 Uiso 1 1 calc R . .
H7B H 0.3906 0.6286 0.1726 0.065 Uiso 1 1 calc R . .
H7C H 0.3259 0.7223 0.1960 0.065 Uiso 1 1 calc R . .
C8 C 0.2363(3) 0.6451(4) -0.0743(3) 0.0227(10) Uani 1 1 d . . .
C9 C 0.2841(3) 0.7047(6) -0.1337(3) 0.0456(15) Uani 1 1 d . . .
H9A H 0.2556 0.7076 -0.1894 0.068 Uiso 1 1 calc R . .
H9B H 0.3287 0.6503 -0.1341 0.068 Uiso 1 1 calc R . .
H9C H 0.2989 0.7946 -0.1158 0.068 Uiso 1 1 calc R . .
C10 C 0.1711(3) 0.7368(6) -0.0639(3) 0.0454(15) Uani 1 1 d . . .
H10A H 0.1363 0.7402 -0.1158 0.068 Uiso 1 1 calc R . .
H10B H 0.1899 0.8258 -0.0495 0.068 Uiso 1 1 calc R . .
H10C H 0.1452 0.7028 -0.0198 0.068 Uiso 1 1 calc R . .
C11 C 0.2018(3) 0.5180(5) -0.1119(3) 0.0317(12) Uani 1 1 d . . .
H11A H 0.1693 0.5381 -0.1637 0.048 Uiso 1 1 calc R . .
H11B H 0.1726 0.4762 -0.0732 0.048 Uiso 1 1 calc R . .
H11C H 0.2413 0.4576 -0.1230 0.048 Uiso 1 1 calc R . .
C12 C 0.3751(3) 0.1694(5) 0.2768(3) 0.0326(12) Uani 1 1 d . . .
H12A H 0.4249 0.2084 0.2884 0.049 Uiso 1 1 calc R . .
H12B H 0.3740 0.1036 0.2327 0.049 Uiso 1 1 calc R . .
H12C H 0.3629 0.1266 0.3268 0.049 Uiso 1 1 calc R . .
C13 C 0.3060(3) 0.4150(5) 0.3334(3) 0.0342(12) Uani 1 1 d . . .
H13A H 0.3562 0.4509 0.3493 0.051 Uiso 1 1 calc R . .
H13B H 0.2912 0.3659 0.3799 0.051 Uiso 1 1 calc R . .
H13C H 0.2709 0.4876 0.3181 0.051 Uiso 1 1 calc R . .
C14 C 0.2104(2) 0.2224(4) 0.2199(3) 0.0197(10) Uani 1 1 d . . .
H14A H 0.2151 0.1324 0.1975 0.024 Uiso 1 1 calc R . .
H14B H 0.1878 0.2150 0.2711 0.024 Uiso 1 1 calc R . .
C15 C 0.0688(3) 0.3689(5) 0.1964(3) 0.0244(10) Uani 1 1 d . . .
C16 C 0.0235(3) 0.2500(5) 0.2178(4) 0.0371(13) Uani 1 1 d . . .
H16A H -0.0137 0.2790 0.2515 0.056 Uiso 1 1 calc R . .
H16B H 0.0567 0.1851 0.2487 0.056 Uiso 1 1 calc R . .
H16C H -0.0016 0.2094 0.1668 0.056 Uiso 1 1 calc R . .
C17 C 0.0998(3) 0.4397(5) 0.2774(3) 0.0302(11) Uani 1 1 d . . .
H17A H 0.0585 0.4697 0.3049 0.045 Uiso 1 1 calc R . .
H17B H 0.1296 0.5160 0.2652 0.045 Uiso 1 1 calc R . .
H17C H 0.1312 0.3784 0.3137 0.045 Uiso 1 1 calc R . .
C18 C 0.0188(3) 0.4651(5) 0.1431(3) 0.0291(11) Uani 1 1 d . . .
H18A H -0.0189 0.4998 0.1744 0.044 Uiso 1 1 calc R . .
H18B H -0.0058 0.4193 0.0936 0.044 Uiso 1 1 calc R . .
H18C H 0.0487 0.5383 0.1266 0.044 Uiso 1 1 calc R . .
C19 C 0.1227(3) 0.2081(4) 0.0555(3) 0.0217(10) Uani 1 1 d . . .
C20 C 0.0638(3) 0.2709(5) -0.0083(3) 0.0330(12) Uani 1 1 d . . .
H20A H 0.0603 0.2217 -0.0603 0.050 Uiso 1 1 calc R . .
H20B H 0.0775 0.3629 -0.0175 0.050 Uiso 1 1 calc R . .
H20C H 0.0156 0.2687 0.0117 0.050 Uiso 1 1 calc R . .
C21 C 0.0953(3) 0.0708(5) 0.0790(3) 0.0362(13) Uani 1 1 d . . .
H21A H 0.0901 0.0128 0.0305 0.054 Uiso 1 1 calc R . .
H21B H 0.0471 0.0798 0.0983 0.054 Uiso 1 1 calc R . .
H21C H 0.1315 0.0324 0.1230 0.054 Uiso 1 1 calc R . .
C22 C 0.1935(3) 0.1855(5) 0.0170(3) 0.0273(11) Uani 1 1 d . . .
H22A H 0.1825 0.1262 -0.0305 0.041 Uiso 1 1 calc R . .
H22B H 0.2318 0.1455 0.0581 0.041 Uiso 1 1 calc R . .
H22C H 0.2116 0.2703 -0.0011 0.041 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ni1 N1 140.40(18) . . ?
N2 Ni1 P1 100.78(14) . . ?
N1 Ni1 P1 89.84(10) . . ?
N2 Ni1 P2 103.52(14) . . ?
N1 Ni1 P2 88.74(11) . . ?
P1 Ni1 P2 143.21(5) . . ?
C3 P1 C8 105.6(2) . . ?
C3 P1 C4 104.7(2) . . ?
C8 P1 C4 110.1(2) . . ?
C3 P1 Ni1 105.17(15) . . ?
C8 P1 Ni1 119.27(15) . . ?
C4 P1 Ni1 110.75(16) . . ?
C14 P2 C19 103.9(2) . . ?
C14 P2 C15 104.7(2) . . ?
C19 P2 C15 110.6(2) . . ?
C14 P2 Ni1 102.75(15) . . ?
C19 P2 Ni1 118.21(15) . . ?
C15 P2 Ni1 114.70(15) . . ?
N1 Si1 C2 115.8(2) . . ?
N1 Si1 C1 115.8(2) . . ?
C2 Si1 C1 103.0(2) . . ?
N1 Si1 C3 104.43(19) . . ?
C2 Si1 C3 105.6(2) . . ?
C1 Si1 C3 112.1(2) . . ?
N1 Si2 C13 112.7(2) . . ?
N1 Si2 C12 115.1(2) . . ?
C13 Si2 C12 106.7(2) . . ?
N1 Si2 C14 105.17(19) . . ?
C13 Si2 C14 108.7(2) . . ?
C12 Si2 C14 108.2(2) . . ?
Si1 N1 Si2 129.3(2) . . ?
Si1 N1 Ni1 122.50(19) . . ?
Si2 N1 Ni1 108.16(18) . . ?
O1 N2 Ni1 149.3(4) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 Si1 111.1(2) . . ?
P1 C3 H3A 109.4 . . ?
Si1 C3 H3A 109.4 . . ?
P1 C3 H3B 109.4 . . ?
Si1 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C6 C4 C7 107.2(5) . . ?
C6 C4 C5 110.3(5) . . ?
C7 C4 C5 107.8(5) . . ?
C6 C4 P1 112.3(4) . . ?
C7 C4 P1 107.0(3) . . ?
C5 C4 P1 112.0(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C11 C8 C9 108.5(4) . . ?
C11 C8 C10 106.1(4) . . ?
C9 C8 C10 110.9(4) . . ?
C11 C8 P1 106.7(3) . . ?
C9 C8 P1 113.9(3) . . ?
C10 C8 P1 110.4(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 Si2 109.0(2) . . ?
P2 C14 H14A 109.9 . . ?
Si2 C14 H14A 109.9 . . ?
P2 C14 H14B 109.9 . . ?
Si2 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C18 C15 C16 109.8(4) . . ?
C18 C15 C17 108.0(4) . . ?
C16 C15 C17 108.1(4) . . ?
C18 C15 P2 110.0(3) . . ?
C16 C15 P2 113.9(3) . . ?
C17 C15 P2 106.7(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C22 109.2(4) . . ?
C20 C19 C21 109.1(4) . . ?
C22 C19 C21 106.8(4) . . ?
C20 C19 P2 110.9(3) . . ?
C22 C19 P2 105.0(3) . . ?
C21 C19 P2 115.6(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N2 1.692(4) . ?
Ni1 N1 2.014(4) . ?
Ni1 P1 2.2604(13) . ?
Ni1 P2 2.3422(13) . ?
P1 C3 1.807(5) . ?
P1 C8 1.879(4) . ?
P1 C4 1.897(5) . ?
P2 C14 1.828(4) . ?
P2 C19 1.880(4) . ?
P2 C15 1.888(5) . ?
Si1 N1 1.683(4) . ?
Si1 C2 1.871(5) . ?
Si1 C1 1.873(5) . ?
Si1 C3 1.894(5) . ?
Si2 N1 1.686(4) . ?
Si2 C13 1.861(5) . ?
Si2 C12 1.866(5) . ?
Si2 C14 1.893(4) . ?
O1 N2 1.185(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C6 1.493(7) . ?
C4 C7 1.522(7) . ?
C4 C5 1.534(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C11 1.519(6) . ?
C8 C9 1.522(7) . ?
C8 C10 1.534(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C18 1.517(6) . ?
C15 C16 1.527(7) . ?
C15 C17 1.537(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.520(6) . ?
C19 C22 1.531(6) . ?
C19 C21 1.543(7) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ni1 P1 C3 163.3(2) . . . . ?
N1 Ni1 P1 C3 21.74(19) . . . . ?
P2 Ni1 P1 C3 -65.95(19) . . . . ?
N2 Ni1 P1 C8 -78.6(2) . . . . ?
N1 Ni1 P1 C8 139.8(2) . . . . ?
P2 Ni1 P1 C8 52.12(19) . . . . ?
N2 Ni1 P1 C4 50.8(2) . . . . ?
N1 Ni1 P1 C4 -90.8(2) . . . . ?
P2 Ni1 P1 C4 -178.50(17) . . . . ?
N2 Ni1 P2 C14 -115.6(2) . . . . ?
N1 Ni1 P2 C14 26.36(18) . . . . ?
P1 Ni1 P2 C14 114.41(16) . . . . ?
N2 Ni1 P2 C19 130.8(2) . . . . ?
N1 Ni1 P2 C19 -87.25(19) . . . . ?
P1 Ni1 P2 C19 0.80(19) . . . . ?
N2 Ni1 P2 C15 -2.5(2) . . . . ?
N1 Ni1 P2 C15 139.40(19) . . . . ?
P1 Ni1 P2 C15 -132.55(17) . . . . ?
C2 Si1 N1 Si2 60.7(3) . . . . ?
C1 Si1 N1 Si2 -60.0(4) . . . . ?
C3 Si1 N1 Si2 176.3(3) . . . . ?
C2 Si1 N1 Ni1 -118.6(3) . . . . ?
C1 Si1 N1 Ni1 120.7(3) . . . . ?
C3 Si1 N1 Ni1 -3.0(3) . . . . ?
C13 Si2 N1 Si1 115.7(3) . . . . ?
C12 Si2 N1 Si1 -7.0(4) . . . . ?
C14 Si2 N1 Si1 -126.0(3) . . . . ?
C13 Si2 N1 Ni1 -64.9(3) . . . . ?
C12 Si2 N1 Ni1 172.3(2) . . . . ?
C14 Si2 N1 Ni1 53.3(2) . . . . ?
N2 Ni1 N1 Si1 -118.2(3) . . . . ?
P1 Ni1 N1 Si1 -11.4(2) . . . . ?
P2 Ni1 N1 Si1 131.9(2) . . . . ?
N2 Ni1 N1 Si2 62.3(3) . . . . ?
P1 Ni1 N1 Si2 169.21(17) . . . . ?
P2 Ni1 N1 Si2 -47.55(17) . . . . ?
N1 Ni1 N2 O1 162.9(6) . . . . ?
P1 Ni1 N2 O1 59.9(7) . . . . ?
P2 Ni1 N2 O1 -92.3(7) . . . . ?
C8 P1 C3 Si1 -154.6(2) . . . . ?
C4 P1 C3 Si1 89.2(3) . . . . ?
Ni1 P1 C3 Si1 -27.6(3) . . . . ?
N1 Si1 C3 P1 20.7(3) . . . . ?
C2 Si1 C3 P1 143.2(3) . . . . ?
C1 Si1 C3 P1 -105.4(3) . . . . ?
C3 P1 C4 C6 160.6(4) . . . . ?
C8 P1 C4 C6 47.6(5) . . . . ?
Ni1 P1 C4 C6 -86.5(4) . . . . ?
C3 P1 C4 C7 -82.0(4) . . . . ?
C8 P1 C4 C7 164.9(4) . . . . ?
Ni1 P1 C4 C7 30.8(4) . . . . ?
C3 P1 C4 C5 35.8(4) . . . . ?
C8 P1 C4 C5 -77.2(4) . . . . ?
Ni1 P1 C4 C5 148.7(4) . . . . ?
C3 P1 C8 C11 60.3(4) . . . . ?
C4 P1 C8 C11 172.8(3) . . . . ?
Ni1 P1 C8 C11 -57.5(4) . . . . ?
C3 P1 C8 C9 -59.3(4) . . . . ?
C4 P1 C8 C9 53.2(4) . . . . ?
Ni1 P1 C8 C9 -177.2(3) . . . . ?
C3 P1 C8 C10 175.2(4) . . . . ?
C4 P1 C8 C10 -72.3(4) . . . . ?
Ni1 P1 C8 C10 57.4(4) . . . . ?
C19 P2 C14 Si2 121.9(2) . . . . ?
C15 P2 C14 Si2 -122.0(2) . . . . ?
Ni1 P2 C14 Si2 -1.8(2) . . . . ?
N1 Si2 C14 P2 -29.8(3) . . . . ?
C13 Si2 C14 P2 91.2(3) . . . . ?
C12 Si2 C14 P2 -153.3(2) . . . . ?
C14 P2 C15 C18 174.5(3) . . . . ?
C19 P2 C15 C18 -74.2(4) . . . . ?
Ni1 P2 C15 C18 62.6(3) . . . . ?
C14 P2 C15 C16 -61.7(4) . . . . ?
C19 P2 C15 C16 49.6(4) . . . . ?
Ni1 P2 C15 C16 -173.6(3) . . . . ?
C14 P2 C15 C17 57.5(3) . . . . ?
C19 P2 C15 C17 168.9(3) . . . . ?
Ni1 P2 C15 C17 -54.3(3) . . . . ?
C14 P2 C19 C20 171.6(3) . . . . ?
C15 P2 C19 C20 59.7(4) . . . . ?
Ni1 P2 C19 C20 -75.4(4) . . . . ?
C14 P2 C19 C22 -70.6(3) . . . . ?
C15 P2 C19 C22 177.5(3) . . . . ?
Ni1 P2 C19 C22 42.4(3) . . . . ?
C14 P2 C19 C21 46.8(4) . . . . ?
C15 P2 C19 C21 -65.1(4) . . . . ?
Ni1 P2 C19 C21 159.8(3) . . . . ?
