#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:04:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178736 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/47/4084774.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_4084774
loop_
_publ_author_name
'Hao, Jingjun'
'Vabre, Boris'
'Zargarian, Davit'
_publ_section_title
;
 POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and
 Reactivities
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6568
_journal_paper_doi               10.1021/om500916d
_journal_volume                  33
_journal_year                    2014
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C21 H40 Ni O3 P2 Si'
_chemical_formula_sum            'C21 H40 Ni O3 P2 Si'
_chemical_formula_weight         489.27
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.3095(2)
_cell_length_b                   17.2789(3)
_cell_length_c                   20.0357(3)
_cell_measurement_reflns_used    9471
_cell_measurement_temperature    100
_cell_measurement_theta_max      70.86
_cell_measurement_theta_min      5.58
_cell_volume                     5300.07(14)
_computing_cell_refinement       'SAINT V7.68A(Bruker AXS, )'
_computing_data_collection       'APEX2  (Bruker AXS, 0)'
_computing_data_reduction        'SAINT V7.68A(Bruker AXS, )'
_computing_molecular_graphics    'SHELXTL  (Bruker AXS, 2003)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_unetI/netI     0.0086
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            105747
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.136
_diffrn_reflns_theta_min         4.445
_exptl_absorpt_coefficient_mu    2.765
_exptl_absorpt_correction_T_max  0.7176
_exptl_absorpt_correction_T_min  0.6602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_description       plate
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.207
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0458P)²+2.2598P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0742
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5024
_reflns_number_total             5126
_cod_data_source_file            om500916d_si_002.cif
_cod_data_source_block           BOR108
_cod_depositor_comments
'Adding full bibliography for 4084774--4084780.cif.'
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4084774
#BEGIN Tags that were not found in dictionaries:
_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   0.698
_shelx_estimated_absorpt_t_max   0.733
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
Ni1 Ni 0.38542(2) 0.19930(2) 0.39477(2) 0.01429(7) Uani 1 1 d . .
P1 P 0.48265(2) 0.26331(2) 0.33983(2) 0.01517(8) Uani 1 1 d . .
P2 P 0.29266(2) 0.16153(2) 0.46868(2) 0.01780(8) Uani 1 1 d . .
Si1 Si 0.37731(2) 0.04115(2) 0.29575(2) 0.02229(9) Uani 1 1 d . .
C6 C 0.46286(8) 0.33876(7) 0.44621(6) 0.0170(2) Uani 1 1 d . .
C2 C 0.35600(8) 0.28383(7) 0.51673(6) 0.0173(2) Uani 1 1 d . .
C1 C 0.40274(8) 0.27919(7) 0.45679(6) 0.0162(2) Uani 1 1 d . .
C5 C 0.47562(8) 0.39961(7) 0.49030(6) 0.0200(2) Uani 1 1 d . .
H5 H 0.5168 0.4393 0.4809 0.024 Uiso 1 1 calc R U
C3 C 0.36602(8) 0.34309(7) 0.56267(6) 0.0205(3) Uani 1 1 d . .
H3 H 0.3326 0.3441 0.6026 0.025 Uiso 1 1 calc R U
C4 C 0.42626(8) 0.40094(7) 0.54882(6) 0.0217(3) Uani 1 1 d . .
H4 H 0.4340 0.4421 0.5797 0.026 Uiso 1 1 calc R U
C8 C 0.36929(12) -0.04489(9) 0.35272(8) 0.0375(4) Uani 1 1 d . .
H8A H 0.4127 -0.0401 0.3885 0.056 Uiso 1 1 calc R U
H8B H 0.3804 -0.0923 0.3272 0.056 Uiso 1 1 calc R U
H8C H 0.3106 -0.0472 0.3722 0.056 Uiso 1 1 calc R U
C7 C 0.28915(13) 0.03096(10) 0.23182(8) 0.0426(4) Uani 1 1 d . .
H7A H 0.2320 0.0341 0.2537 0.064 Uiso 1 1 calc R U
H7B H 0.2948 -0.0192 0.2094 0.064 Uiso 1 1 calc R U
H7C H 0.2944 0.0726 0.1989 0.064 Uiso 1 1 calc R U
C9 C 0.48303(12) 0.03248(9) 0.24916(10) 0.0435(4) Uani 1 1 d . .
H9A H 0.4907 0.0777 0.2203 0.065 Uiso 1 1 calc R U
H9B H 0.4822 -0.0145 0.2218 0.065 Uiso 1 1 calc R U
H9C H 0.5315 0.0297 0.2810 0.065 Uiso 1 1 calc R U
C15 C 0.65689(9) 0.26789(9) 0.29377(8) 0.0350(3) Uani 1 1 d . .
H15A H 0.6698 0.3086 0.3264 0.052 Uiso 1 1 calc R U
H15B H 0.6367 0.2915 0.2521 0.052 Uiso 1 1 calc R U
H15C H 0.7099 0.2377 0.2852 0.052 Uiso 1 1 calc R U
C11 C 0.36646(9) 0.36155(8) 0.27977(8) 0.0297(3) Uani 1 1 d . .
H11A H 0.3492 0.3910 0.2401 0.045 Uiso 1 1 calc R U
H11B H 0.3791 0.3974 0.3164 0.045 Uiso 1 1 calc R U
H11C H 0.3188 0.3269 0.2928 0.045 Uiso 1 1 calc R U
C13 C 0.58569(8) 0.21474(7) 0.32140(7) 0.0214(3) Uani 1 1 d . .
H13 H 0.5734 0.1747 0.2866 0.026 Uiso 1 1 calc R U
C14 C 0.61648(9) 0.17200(10) 0.38410(8) 0.0343(3) Uani 1 1 d . .
H14A H 0.6689 0.1417 0.3736 0.051 Uiso 1 1 calc R U
H14B H 0.5702 0.1372 0.3996 0.051 Uiso 1 1 calc R U
H14C H 0.6301 0.2097 0.4192 0.051 Uiso 1 1 calc R U
C10 C 0.44825(9) 0.31369(7) 0.26402(6) 0.0214(3) Uani 1 1 d . .
H10 H 0.4960 0.3496 0.2498 0.026 Uiso 1 1 calc R U
C12 C 0.43112(11) 0.25587(9) 0.20767(7) 0.0306(3) Uani 1 1 d . .
H12A H 0.3886 0.2172 0.2226 0.046 Uiso 1 1 calc R U
H12B H 0.4859 0.2300 0.1956 0.046 Uiso 1 1 calc R U
H12C H 0.4080 0.2834 0.1687 0.046 Uiso 1 1 calc R U
C20 C 0.31510(11) 0.07064(8) 0.51153(7) 0.0299(3) Uani 1 1 d . .
H20 H 0.3074 0.0278 0.4785 0.036 Uiso 1 1 calc R U
C23 C 0.17684(9) 0.16236(10) 0.44770(7) 0.0334(3) Uani 1 1 d . .
H23 H 0.1426 0.1538 0.4896 0.040 Uiso 1 1 calc R U
C22 C 0.25375(13) 0.05483(10) 0.57028(8) 0.0438(4) Uani 1 1 d . .
H22A H 0.2676 0.0043 0.5898 0.066 Uiso 1 1 calc R U
H22B H 0.1931 0.0548 0.5545 0.066 Uiso 1 1 calc R U
H22C H 0.2612 0.0953 0.6041 0.066 Uiso 1 1 calc R U
C21 C 0.41019(12) 0.07021(11) 0.53400(9) 0.0448(4) Uani 1 1 d . .
H21A H 0.4197 0.1120 0.5663 0.067 Uiso 1 1 calc R U
H21B H 0.4483 0.0780 0.4953 0.067 Uiso 1 1 calc R U
H21C H 0.4238 0.0204 0.5549 0.067 Uiso 1 1 calc R U
C24 C 0.15639(12) 0.09623(15) 0.39920(10) 0.0622(7) Uani 1 1 d . .
H24A H 0.0953 0.0997 0.3850 0.093 Uiso 1 1 calc R U
H24B H 0.1663 0.0465 0.4215 0.093 Uiso 1 1 calc R U
H24C H 0.1946 0.1002 0.3601 0.093 Uiso 1 1 calc R U
C25 C 0.15242(11) 0.24183(14) 0.41944(9) 0.0524(5) Uani 1 1 d . .
H25A H 0.1812 0.2492 0.3762 0.079 Uiso 1 1 calc R U
H25B H 0.1715 0.2823 0.4504 0.079 Uiso 1 1 calc R U
H25C H 0.0890 0.2448 0.4136 0.079 Uiso 1 1 calc R U
O2 O 0.29642(6) 0.22501(5) 0.53027(4) 0.02013(19) Uani 1 1 d . .
O1 O 0.51269(6) 0.33632(5) 0.38803(4) 0.01975(19) Uani 1 1 d . .
O3 O 0.36696(7) 0.12145(5) 0.33309(5) 0.0271(2) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
O O 0.0492 0.0322 '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'
P P 0.2955 0.4335 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O3 NI1 C1 179.12(5) y
O3 NI1 P2 97.96(3) y
C1 NI1 P2 81.99(4) y
O3 NI1 P1 97.91(3) y
C1 NI1 P1 82.13(4) y
P2 NI1 P1 164.110(15 y
O1 P1 C13 103.22(5) y
O1 P1 C10 101.66(5) y
C13 P1 C10 107.46(6) y
O1 P1 NI1 106.56(3) y
C13 P1 NI1 117.65(4) y
C10 P1 NI1 118.00(4) y
O2 P2 C20 102.34(6) y
O2 P2 C23 101.59(6) y
C20 P2 C23 107.38(8) y
O2 P2 NI1 106.83(3) y
C20 P2 NI1 117.44(5) y
C23 P2 NI1 118.74(5) y
O3 SI1 C7 109.51(7) y
O3 SI1 C9 113.05(6) y
C7 SI1 C9 105.94(9) y
O3 SI1 C8 113.56(6) y
C7 SI1 C8 107.14(8) y
C9 SI1 C8 107.21(8) y
C5 C6 O1 118.59(11) y
C5 C6 C1 123.69(11) y
O1 C6 C1 117.72(10) y
C3 C2 O2 118.85(11) y
C3 C2 C1 123.75(11) y
O2 C2 C1 117.40(10) y
C6 C1 C2 115.13(11) y
C6 C1 NI1 122.33(9) y
C2 C1 NI1 122.54(9) y
C6 C5 C4 118.12(11) y
C6 C5 H5 120.9 ?
C4 C5 H5 120.9 ?
C2 C3 C4 118.23(12) y
C2 C3 H3 120.9 ?
C4 C3 H3 120.9 ?
C3 C4 C5 121.07(11) y
C3 C4 H4 119.5 ?
C5 C4 H4 119.5 ?
SI1 C8 H8A 109.5 ?
SI1 C8 H8B 109.5 ?
H8A C8 H8B 109.5 ?
SI1 C8 H8C 109.5 ?
H8A C8 H8C 109.5 ?
H8B C8 H8C 109.5 ?
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 ?
SI1 C9 H9A 109.5 ?
SI1 C9 H9B 109.5 ?
H9A C9 H9B 109.5 ?
SI1 C9 H9C 109.5 ?
H9A C9 H9C 109.5 ?
H9B C9 H9C 109.5 ?
C13 C15 H15A 109.5 ?
C13 C15 H15B 109.5 ?
H15A C15 H15B 109.5 ?
C13 C15 H15C 109.5 ?
H15A C15 H15C 109.5 ?
H15B C15 H15C 109.5 ?
C10 C11 H11A 109.5 ?
C10 C11 H11B 109.5 ?
H11A C11 H11B 109.5 ?
C10 C11 H11C 109.5 ?
H11A C11 H11C 109.5 ?
H11B C11 H11C 109.5 ?
C15 C13 C14 111.54(12) y
C15 C13 P1 114.41(9) y
C14 C13 P1 108.78(9) y
C15 C13 H13 107.3 ?
C14 C13 H13 107.3 ?
P1 C13 H13 107.3 ?
C13 C14 H14A 109.5 ?
C13 C14 H14B 109.5 ?
H14A C14 H14B 109.5 ?
C13 C14 H14C 109.5 ?
H14A C14 H14C 109.5 ?
H14B C14 H14C 109.5 ?
C12 C10 C11 111.33(12) y
C12 C10 P1 110.58(9) y
C11 C10 P1 108.73(9) y
C12 C10 H10 108.7 ?
C11 C10 H10 108.7 ?
P1 C10 H10 108.7 ?
C10 C12 H12A 109.5 ?
C10 C12 H12B 109.5 ?
H12A C12 H12B 109.5 ?
C10 C12 H12C 109.5 ?
H12A C12 H12C 109.5 ?
H12B C12 H12C 109.5 ?
C21 C20 C22 110.99(13) y
C21 C20 P2 108.87(10) y
C22 C20 P2 113.61(11) y
C21 C20 H20 107.7 ?
C22 C20 H20 107.7 ?
P2 C20 H20 107.7 ?
C25 C23 C24 112.59(16) y
C25 C23 P2 109.26(11) y
C24 C23 P2 109.83(12) y
C25 C23 H23 108.4 ?
C24 C23 H23 108.4 ?
P2 C23 H23 108.4 ?
C20 C22 H22A 109.5 ?
C20 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
C20 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
H22B C22 H22C 109.5 ?
C20 C21 H21A 109.5 ?
C20 C21 H21B 109.5 ?
H21A C21 H21B 109.5 ?
C20 C21 H21C 109.5 ?
H21A C21 H21C 109.5 ?
H21B C21 H21C 109.5 ?
C23 C24 H24A 109.5 ?
C23 C24 H24B 109.5 ?
H24A C24 H24B 109.5 ?
C23 C24 H24C 109.5 ?
H24A C24 H24C 109.5 ?
H24B C24 H24C 109.5 ?
C23 C25 H25A 109.5 ?
C23 C25 H25B 109.5 ?
H25A C25 H25B 109.5 ?
C23 C25 H25C 109.5 ?
H25A C25 H25C 109.5 ?
H25B C25 H25C 109.5 ?
C2 O2 P2 111.22(7) y
C6 O1 P1 111.06(7) y
SI1 O3 NI1 159.68(7) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 O3 1.8482(9) y
Ni1 C1 1.8762(12) y
Ni1 P2 2.1530(3) y
Ni1 P1 2.1566(3) y
P1 O1 1.6539(9) y
P1 C13 1.8247(13) y
P1 C10 1.8280(13) y
P2 O2 1.6521(9) y
P2 C20 1.8226(14) y
P2 C23 1.8223(14) y
Si1 O3 1.5843(9) y
Si1 C7 1.8691(16) y
Si1 C9 1.8744(16) y
Si1 C8 1.8784(15) y
C6 C5 1.3871(17) y
C6 O1 1.3938(15) y
C6 C1 1.3970(17) y
C2 C3 1.3854(17) y
C2 O2 1.3923(15) y
C2 C1 1.4002(17) y
C5 C4 1.3952(18) y
C5 H5 0.9500 ?
C3 C4 1.3880(19) y
C3 H3 0.9500 ?
C4 H4 0.9500 ?
C8 H8a 0.9800 ?
C8 H8b 0.9800 ?
C8 H8c 0.9800 ?
C7 H7a 0.9800 ?
C7 H7b 0.9800 ?
C7 H7c 0.9800 ?
C9 H9a 0.9800 ?
C9 H9b 0.9800 ?
C9 H9c 0.9800 ?
C15 C13 1.5291(18) y
C15 H15a 0.9800 ?
C15 H15b 0.9800 ?
C15 H15c 0.9800 ?
C11 C10 1.5334(19) y
C11 H11a 0.9800 ?
C11 H11b 0.9800 ?
C11 H11c 0.9800 ?
C13 C14 1.532(2) y
C13 H13 1.0000 ?
C14 H14a 0.9800 ?
C14 H14b 0.9800 ?
C14 H14c 0.9800 ?
C10 C12 1.5302(18) y
C10 H10 1.0000 ?
C12 H12a 0.9800 ?
C12 H12b 0.9800 ?
C12 H12c 0.9800 ?
C20 C21 1.524(2) y
C20 C22 1.5304(19) y
C20 H20 1.0000 ?
C23 C25 1.532(3) y
C23 C24 1.532(2) y
C23 H23 1.0000 ?
C22 H22a 0.9800 ?
C22 H22b 0.9800 ?
C22 H22c 0.9800 ?
C21 H21a 0.9800 ?
C21 H21b 0.9800 ?
C21 H21c 0.9800 ?
C24 H24a 0.9800 ?
C24 H24b 0.9800 ?
C24 H24c 0.9800 ?
C25 H25a 0.9800 ?
C25 H25b 0.9800 ?
C25 H25c 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_publ_flag
C5 C6 C1 C2 -1.17(18) y
O1 C6 C1 C2 178.65(10) y
C5 C6 C1 NI1 178.36(9) y
O1 C6 C1 NI1 -1.83(15) y
C3 C2 C1 C6 1.07(18) y
O2 C2 C1 C6 -178.80(10) y
C3 C2 C1 NI1 -178.45(10) y
O2 C2 C1 NI1 1.68(16) y
P2 NI1 C1 C6 179.66(10) y
P1 NI1 C1 C6 -1.04(9) y
P2 NI1 C1 C2 -0.85(10) y
P1 NI1 C1 C2 178.45(10) y
O1 C6 C5 C4 -179.14(11) y
C1 C6 C5 C4 0.68(18) y
O2 C2 C3 C4 179.38(11) y
C1 C2 C3 C4 -0.48(19) y
C2 C3 C4 C5 -0.09(19) y
C6 C5 C4 C3 -0.01(18) y
O1 P1 C13 C15 -52.52(11) y
C10 P1 C13 C15 54.42(12) y
NI1 P1 C13 C15 -169.49(9) y
O1 P1 C13 C14 72.94(10) y
C10 P1 C13 C14 179.88(10) y
NI1 P1 C13 C14 -44.04(11) y
O1 P1 C10 C12 170.93(9) y
C13 P1 C10 C12 62.90(11) y
NI1 P1 C10 C12 -73.00(10) y
O1 P1 C10 C11 -66.54(10) y
C13 P1 C10 C11 -174.58(9) y
NI1 P1 C10 C11 49.52(10) y
O2 P2 C20 C21 -69.75(11) y
C23 P2 C20 C21 -176.25(10) y
NI1 P2 C20 C21 46.84(11) y
O2 P2 C20 C22 54.47(12) y
C23 P2 C20 C22 -52.03(13) y
NI1 P2 C20 C22 171.06(10) y
O2 P2 C23 C25 65.95(12) y
C20 P2 C23 C25 172.98(11) y
NI1 P2 C23 C25 -50.77(12) y
O2 P2 C23 C24 -170.09(13) y
C20 P2 C23 C24 -63.06(14) y
NI1 P2 C23 C24 73.19(14) y
C3 C2 O2 P2 178.60(9) y
C1 C2 O2 P2 -1.52(13) y
C20 P2 O2 C2 124.82(9) y
C23 P2 O2 C2 -124.26(9) y
NI1 P2 O2 C2 0.83(8) y
C5 C6 O1 P1 -175.80(9) y
C1 C6 O1 P1 4.37(13) y
C13 P1 O1 C6 -129.20(8) y
C10 P1 O1 C6 119.51(8) y
NI1 P1 O1 C6 -4.65(8) y
C7 SI1 O3 NI1 171.91(18) y
C9 SI1 O3 NI1 -70.2(2) y
C8 SI1 O3 NI1 52.2(2) y
P2 NI1 O3 SI1 -89.26(18) y
P1 NI1 O3 SI1 91.68(18) y
