#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:53:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179869 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/65/7016571.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_7016571
loop_
_publ_author_name
'González-Sebastián, Lucero'
'Flores-Alamo, Marcos'
'García, Juventino J'
_publ_section_title
;
 Reduction of CO(2) and SO(2) with low valent nickel compounds under
 mild conditions.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9116
_journal_page_last               9122
_journal_paper_doi               10.1039/c1dt10972c
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C44 H96 Ni2 O2 P6 '
_chemical_formula_sum            'C44 H96 Ni2 O2 P6'
_chemical_formula_weight         960.45
_chemical_name_systematic
;
{[(dippe)Ni(CO)]2(mu-dippe)}
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2010-03-03T15:59:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                102.320(6)
_cell_angle_beta                 91.092(6)
_cell_angle_gamma                112.112(7)
_cell_formula_units_Z            1
_cell_length_a                   8.7220(6)
_cell_length_b                   11.5158(8)
_cell_length_c                   14.3744(10)
_cell_measurement_reflns_used    5413
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      67.9937
_cell_measurement_theta_min      4.2631
_cell_measurement_wavelength     0.71073
_cell_volume                     1298.88(18)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0070891
_diffrn_orient_matrix_UB_12      0.0592171
_diffrn_orient_matrix_UB_13      -0.0856901
_diffrn_orient_matrix_UB_21      -0.0495764
_diffrn_orient_matrix_UB_22      -0.1337837
_diffrn_orient_matrix_UB_23      -0.0689466
_diffrn_orient_matrix_UB_31      -0.1851576
_diffrn_orient_matrix_UB_32      -0.0264376
_diffrn_orient_matrix_UB_33      0.0091898
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8546
_diffrn_reflns_theta_full        68.11
_diffrn_reflns_theta_max         68.11
_diffrn_reflns_theta_min         4.27
_exptl_absorpt_coefficient_mu    2.881
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.2879
_exptl_crystal_size_mid          0.1852
_exptl_crystal_size_min          0.0495
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0263P)²+2.6979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                4010
_reflns_number_total             4721
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c1dt10972c.txt
_cod_data_source_block           1
_cod_database_code               7016571
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.36555(5) 0.25539(4) 0.29183(3) 0.01202(12) Uani 1 1 d .
P1 P 0.52992(8) 0.32190(6) 0.18289(5) 0.01450(15) Uani 1 1 d .
P2 P 0.27197(8) 0.05540(6) 0.20727(5) 0.01427(15) Uani 1 1 d .
P3 P 0.46353(8) 0.28855(6) 0.44325(4) 0.01084(14) Uani 1 1 d .
O1 O 0.1190(3) 0.3706(2) 0.29917(16) 0.0295(5) Uani 1 1 d .
C1 C -0.0414(4) 0.0431(3) 0.1405(2) 0.0302(7) Uani 1 1 d .
H1A H -0.1589 -0.0109 0.1187 0.045 Uiso 1 1 calc R
H1B H 0.0137 0.0765 0.0874 0.045 Uiso 1 1 calc R
H1C H -0.033 0.1154 0.1935 0.045 Uiso 1 1 calc R
C2 C 0.0434(4) -0.0378(3) 0.1747(2) 0.0228(6) Uani 1 1 d .
H2 H 0.0266 -0.1142 0.121 0.027 Uiso 1 1 calc R
C3 C -0.0394(4) -0.0865(3) 0.2588(2) 0.0310(7) Uani 1 1 d .
H3A H -0.0264 -0.0128 0.3117 0.047 Uiso 1 1 calc R
H3B H 0.013 -0.1397 0.2798 0.047 Uiso 1 1 calc R
H3C H -0.1581 -0.1383 0.2389 0.047 Uiso 1 1 calc R
C4 C 0.2548(5) -0.2069(3) 0.1736(2) 0.0336(8) Uani 1 1 d .
H4A H 0.2777 -0.2061 0.1072 0.05 Uiso 1 1 calc R
H4B H 0.1343 -0.2381 0.1768 0.05 Uiso 1 1 calc R
H4C H 0.2985 -0.2641 0.1962 0.05 Uiso 1 1 calc R
C5 C 0.3387(4) -0.0702(3) 0.2369(2) 0.0202(6) Uani 1 1 d .
H5 H 0.3115 -0.0755 0.3035 0.024 Uiso 1 1 calc R
C6 C 0.5276(4) -0.0260(3) 0.2392(2) 0.0301(7) Uani 1 1 d .
H6A H 0.5646 -0.0811 0.2694 0.045 Uiso 1 1 calc R
H6B H 0.581 0.0637 0.2761 0.045 Uiso 1 1 calc R
H6C H 0.5583 -0.0324 0.1737 0.045 Uiso 1 1 calc R
C7 C 0.2963(4) 0.3410(3) 0.0549(2) 0.0306(7) Uani 1 1 d .
H7A H 0.2159 0.3142 0.1006 0.046 Uiso 1 1 calc R
H7B H 0.2951 0.2644 0.0087 0.046 Uiso 1 1 calc R
H7C H 0.266 0.3958 0.0208 0.046 Uiso 1 1 calc R
C8 C 0.4707(4) 0.4167(3) 0.1087(2) 0.0221(6) Uani 1 1 d .
H8 H 0.5518 0.435 0.0601 0.027 Uiso 1 1 calc R
C9 C 0.4799(5) 0.5457(3) 0.1695(2) 0.0325(8) Uani 1 1 d .
H9A H 0.4475 0.5926 0.1286 0.049 Uiso 1 1 calc R
H9B H 0.5939 0.597 0.1998 0.049 Uiso 1 1 calc R
H9C H 0.404 0.5302 0.219 0.049 Uiso 1 1 calc R
C10 C 0.8239(4) 0.5237(3) 0.2834(2) 0.0318(7) Uani 1 1 d .
H10A H 0.939 0.5433 0.3075 0.048 Uiso 1 1 calc R
H10B H 0.7529 0.5096 0.3353 0.048 Uiso 1 1 calc R
H10C H 0.8193 0.5962 0.2598 0.048 Uiso 1 1 calc R
C11 C 0.7625(4) 0.4022(3) 0.2019(2) 0.0217(6) Uani 1 1 d .
H11 H 0.801 0.3401 0.224 0.026 Uiso 1 1 calc R
C12 C 0.8521(4) 0.4296(4) 0.1131(2) 0.0384(9) Uani 1 1 d .
H12A H 0.8303 0.4983 0.0926 0.058 Uiso 1 1 calc R
H12B H 0.8111 0.3511 0.0612 0.058 Uiso 1 1 calc R
H12C H 0.9722 0.4569 0.129 0.058 Uiso 1 1 calc R
C13 C 0.5086(4) 0.1748(3) 0.0905(2) 0.0199(6) Uani 1 1 d .
H13A H 0.5196 0.1958 0.027 0.024 Uiso 1 1 calc R
H13B H 0.6002 0.148 0.1044 0.024 Uiso 1 1 calc R
C14 C 0.3421(4) 0.0623(3) 0.08640(19) 0.0200(6) Uani 1 1 d .
H14A H 0.3531 -0.0196 0.0567 0.024 Uiso 1 1 calc R
H14B H 0.2566 0.0714 0.0454 0.024 Uiso 1 1 calc R
C15 C 0.6878(4) 0.2698(3) 0.5842(2) 0.0236(6) Uani 1 1 d .
H15A H 0.7724 0.2356 0.5943 0.035 Uiso 1 1 calc R
H15B H 0.59 0.2282 0.6156 0.035 Uiso 1 1 calc R
H15C H 0.7333 0.3632 0.6114 0.035 Uiso 1 1 calc R
C16 C 0.6372(3) 0.2421(3) 0.47679(19) 0.0167(6) Uani 1 1 d .
H16 H 0.5973 0.1465 0.4518 0.02 Uiso 1 1 calc R
C17 C 0.7897(4) 0.3020(3) 0.4263(2) 0.0290(7) Uani 1 1 d .
H17A H 0.8413 0.3952 0.454 0.043 Uiso 1 1 calc R
H17B H 0.7557 0.2859 0.3578 0.043 Uiso 1 1 calc R
H17C H 0.8701 0.2632 0.4347 0.043 Uiso 1 1 calc R
C18 C 0.1455(3) 0.2293(3) 0.5062(2) 0.0191(6) Uani 1 1 d .
H18A H 0.0926 0.186 0.4406 0.029 Uiso 1 1 calc R
H18B H 0.1711 0.322 0.5172 0.029 Uiso 1 1 calc R
H18C H 0.0697 0.1935 0.5517 0.029 Uiso 1 1 calc R
C19 C 0.3060(3) 0.2084(3) 0.52055(18) 0.0153(5) Uani 1 1 d .
H19 H 0.3538 0.2491 0.5889 0.018 Uiso 1 1 calc R
C20 C 0.2669(4) 0.0639(3) 0.5029(2) 0.0220(6) Uani 1 1 d .
H20A H 0.1824 0.0258 0.5436 0.033 Uiso 1 1 calc R
H20B H 0.3684 0.0511 0.5183 0.033 Uiso 1 1 calc R
H20C H 0.2248 0.0223 0.4354 0.033 Uiso 1 1 calc R
C21 C 0.5412(3) 0.4579(2) 0.51524(19) 0.0143(5) Uani 1 1 d .
H21A H 0.5246 0.4567 0.583 0.017 Uiso 1 1 calc R
H21B H 0.6624 0.4987 0.5118 0.017 Uiso 1 1 calc R
C22 C 0.2152(3) 0.3236(3) 0.29744(18) 0.0168(6) 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 0 '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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -2 0 0.0352
-1 2 0 0.0433
2 0 0 0.1455
0 -1 3 0.0295
0 1 -3 0.0201
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
C22 Ni1 P2 113.19(9) .
C22 Ni1 P1 108.67(9) .
P2 Ni1 P1 91.36(3) .
C22 Ni1 P3 105.23(9) .
P2 Ni1 P3 116.10(3) .
P1 Ni1 P3 122.09(3) .
C13 P1 C8 101.29(13) .
C13 P1 C11 98.84(13) .
C8 P1 C11 103.09(13) .
C13 P1 Ni1 106.51(9) .
C8 P1 Ni1 117.10(10) .
C11 P1 Ni1 125.92(9) .
C14 P2 C2 100.51(13) .
C14 P2 C5 101.83(13) .
C2 P2 C5 101.29(14) .
C14 P2 Ni1 106.20(9) .
C2 P2 Ni1 120.05(10) .
C5 P2 Ni1 123.34(10) .
C21 P3 C16 100.14(12) .
C21 P3 C19 99.63(12) .
C16 P3 C19 99.84(12) .
C21 P3 Ni1 116.09(8) .
C16 P3 Ni1 122.44(9) .
C19 P3 Ni1 115.03(9) .
C2 C1 H1A 109.5 .
C2 C1 H1B 109.5 .
H1A C1 H1B 109.5 .
C2 C1 H1C 109.5 .
H1A C1 H1C 109.5 .
H1B C1 H1C 109.5 .
C3 C2 C1 109.4(3) .
C3 C2 P2 111.1(2) .
C1 C2 P2 111.7(2) .
C3 C2 H2 108.2 .
C1 C2 H2 108.2 .
P2 C2 H2 108.2 .
C2 C3 H3A 109.5 .
C2 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C2 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
C5 C4 H4A 109.5 .
C5 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C5 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C6 C5 C4 109.5(2) .
C6 C5 P2 109.9(2) .
C4 C5 P2 116.8(2) .
C6 C5 H5 106.7 .
C4 C5 H5 106.7 .
P2 C5 H5 106.7 .
C5 C6 H6A 109.5 .
C5 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C5 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C8 C7 H7A 109.5 .
C8 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C8 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C9 C8 C7 109.5(3) .
C9 C8 P1 111.5(2) .
C7 C8 P1 111.7(2) .
C9 C8 H8 108 .
C7 C8 H8 108 .
P1 C8 H8 108 .
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 .
C11 C10 H10A 109.5 .
C11 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C11 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C10 C11 C12 110.3(3) .
C10 C11 P1 112.3(2) .
C12 C11 P1 116.7(2) .
C10 C11 H11 105.5 .
C12 C11 H11 105.5 .
P1 C11 H11 105.5 .
C11 C12 H12A 109.5 .
C11 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C11 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C14 C13 P1 112.72(18) .
C14 C13 H13A 109 .
P1 C13 H13A 109 .
C14 C13 H13B 109 .
P1 C13 H13B 109 .
H13A C13 H13B 107.8 .
C13 C14 P2 112.20(18) .
C13 C14 H14A 109.2 .
P2 C14 H14A 109.2 .
C13 C14 H14B 109.2 .
P2 C14 H14B 109.2 .
H14A C14 H14B 107.9 .
C16 C15 H15A 109.5 .
C16 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C16 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C17 C16 C15 110.0(2) .
C17 C16 P3 111.05(19) .
C15 C16 P3 115.76(19) .
C17 C16 H16 106.5 .
C15 C16 H16 106.5 .
P3 C16 H16 106.5 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C19 C18 H18A 109.5 .
C19 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C19 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C18 C19 C20 109.7(2) .
C18 C19 P3 111.27(19) .
C20 C19 P3 112.31(19) .
C18 C19 H19 107.8 .
C20 C19 H19 107.8 .
P3 C19 H19 107.8 .
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 .
C21 C21 P3 115.4(2) 2_666
C21 C21 H21A 108.4 2_666
P3 C21 H21A 108.4 .
C21 C21 H21B 108.4 2_666
P3 C21 H21B 108.4 .
H21A C21 H21B 107.5 .
O1 C22 Ni1 177.9(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 C22 1.759(3) .
Ni1 P2 2.1909(8) .
Ni1 P1 2.2057(8) .
Ni1 P3 2.2231(8) .
P1 C13 1.861(3) .
P1 C8 1.870(3) .
P1 C11 1.872(3) .
P2 C14 1.861(3) .
P2 C2 1.867(3) .
P2 C5 1.870(3) .
P3 C21 1.857(3) .
P3 C16 1.872(3) .
P3 C19 1.875(3) .
O1 C22 1.155(3) .
C1 C2 1.535(4) .
C1 H1A 0.98 .
C1 H1B 0.98 .
C1 H1C 0.98 .
C2 C3 1.521(4) .
C2 H2 1 .
C3 H3A 0.98 .
C3 H3B 0.98 .
C3 H3C 0.98 .
C4 C5 1.529(4) .
C4 H4A 0.98 .
C4 H4B 0.98 .
C4 H4C 0.98 .
C5 C6 1.528(4) .
C5 H5 1 .
C6 H6A 0.98 .
C6 H6B 0.98 .
C6 H6C 0.98 .
C7 C8 1.530(4) .
C7 H7A 0.98 .
C7 H7B 0.98 .
C7 H7C 0.98 .
C8 C9 1.527(4) .
C8 H8 1 .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C10 C11 1.526(4) .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 C12 1.538(4) .
C11 H11 1 .
C12 H12A 0.98 .
C12 H12B 0.98 .
C12 H12C 0.98 .
C13 C14 1.529(4) .
C13 H13A 0.99 .
C13 H13B 0.99 .
C14 H14A 0.99 .
C14 H14B 0.99 .
C15 C16 1.529(4) .
C15 H15A 0.98 .
C15 H15B 0.98 .
C15 H15C 0.98 .
C16 C17 1.527(4) .
C16 H16 1 .
C17 H17A 0.98 .
C17 H17B 0.98 .
C17 H17C 0.98 .
C18 C19 1.525(4) .
C18 H18A 0.98 .
C18 H18B 0.98 .
C18 H18C 0.98 .
C19 C20 1.529(4) .
C19 H19 1 .
C20 H20A 0.98 .
C20 H20B 0.98 .
C20 H20C 0.98 .
C21 C21 1.530(5) 2_666
C21 H21A 0.99 .
C21 H21B 0.99 .
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
C22 Ni1 P1 C13 -119.37(13) .
P2 Ni1 P1 C13 -4.29(10) .
P3 Ni1 P1 C13 118.00(10) .
C22 Ni1 P1 C8 -6.97(14) .
P2 Ni1 P1 C8 108.11(11) .
P3 Ni1 P1 C8 -129.60(11) .
C22 Ni1 P1 C11 126.26(15) .
P2 Ni1 P1 C11 -118.67(12) .
P3 Ni1 P1 C11 3.62(13) .
C22 Ni1 P2 C14 98.26(14) .
P1 Ni1 P2 C14 -12.75(10) .
P3 Ni1 P2 C14 -139.86(10) .
C22 Ni1 P2 C2 -14.55(15) .
P1 Ni1 P2 C2 -125.56(11) .
P3 Ni1 P2 C2 107.33(12) .
C22 Ni1 P2 C5 -145.20(15) .
P1 Ni1 P2 C5 103.79(11) .
P3 Ni1 P2 C5 -23.32(12) .
C22 Ni1 P3 C21 -53.48(14) .
P2 Ni1 P3 C21 -179.48(10) .
P1 Ni1 P3 C21 70.74(10) .
C22 Ni1 P3 C16 -176.41(14) .
P2 Ni1 P3 C16 57.59(11) .
P1 Ni1 P3 C16 -52.18(11) .
C22 Ni1 P3 C19 62.25(13) .
P2 Ni1 P3 C19 -63.75(10) .
P1 Ni1 P3 C19 -173.52(9) .
C14 P2 C2 C3 165.7(2) .
C5 P2 C2 C3 61.2(2) .
Ni1 P2 C2 C3 -78.5(2) .
C14 P2 C2 C1 -71.9(2) .
C5 P2 C2 C1 -176.3(2) .
Ni1 P2 C2 C1 43.9(2) .
C14 P2 C5 C6 61.1(2) .
C2 P2 C5 C6 164.5(2) .
Ni1 P2 C5 C6 -57.5(2) .
C14 P2 C5 C4 -64.4(2) .
C2 P2 C5 C4 39.0(3) .
Ni1 P2 C5 C4 176.94(19) .
C13 P1 C8 C9 -179.6(2) .
C11 P1 C8 C9 -77.6(2) .
Ni1 P1 C8 C9 65.1(2) .
C13 P1 C8 C7 57.5(2) .
C11 P1 C8 C7 159.5(2) .
Ni1 P1 C8 C7 -57.8(2) .
C13 P1 C11 C10 -174.3(2) .
C8 P1 C11 C10 81.8(2) .
Ni1 P1 C11 C10 -56.4(3) .
C13 P1 C11 C12 56.9(3) .
C8 P1 C11 C12 -46.9(3) .
Ni1 P1 C11 C12 174.8(2) .
C8 P1 C13 C14 -97.8(2) .
C11 P1 C13 C14 156.8(2) .
Ni1 P1 C13 C14 25.1(2) .
P1 C13 C14 P2 -36.9(3) .
C2 P2 C14 C13 157.4(2) .
C5 P2 C14 C13 -98.6(2) .
Ni1 P2 C14 C13 31.6(2) .
C21 P3 C16 C17 -75.5(2) .
C19 P3 C16 C17 -177.2(2) .
Ni1 P3 C16 C17 54.5(2) .
C21 P3 C16 C15 50.9(2) .
C19 P3 C16 C15 -50.8(2) .
Ni1 P3 C16 C15 -179.08(17) .
C21 P3 C19 C18 78.7(2) .
C16 P3 C19 C18 -179.14(19) .
Ni1 P3 C19 C18 -46.2(2) .
C21 P3 C19 C20 -157.9(2) .
C16 P3 C19 C20 -55.8(2) .
Ni1 P3 C19 C20 77.2(2) .
C16 P3 C21 C21 162.5(3) 2_666
C19 P3 C21 C21 -95.6(3) 2_666
Ni1 P3 C21 C21 28.5(3) 2_666
