#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/29/4112959.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_4112959
loop_
_publ_author_name
'Sensuke Ogoshi'
'Masa-aki Oka'
'Hideo Kurosawa'
_publ_section_title
;
 Direct Observation of Oxidative Cyclization of η2-Alkene and
 η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of
 Me3SiOTf
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11802
_journal_page_last               11803
_journal_paper_doi               10.1021/ja0460716
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C48 H86 O2 Ni2 P2 '
_chemical_formula_sum            'C48 H86 Ni2 O2 P2'
_chemical_formula_weight         874.55
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.009(3)
_cell_angle_beta                 78.037(6)
_cell_angle_gamma                67.813(1)
_cell_formula_units_Z            2
_cell_length_a                   10.393(1)
_cell_length_b                   10.421(1)
_cell_length_c                   24.059(2)
_cell_measurement_reflns_used    9712
_cell_measurement_temperature    273.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     2347.3(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.7248
_diffrn_measured_fraction_theta_max 0.7264
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.127
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            12382
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_description       block
_exptl_crystal_F_000             952.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.98
_refine_diff_density_min         -4.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.932
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     573
_refine_ls_number_reflns         3482
_refine_ls_R_factor_gt           0.1090
_refine_ls_shift/su_max          0.0570
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.2180
_reflns_number_gt                3482
_reflns_number_total             7840
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja0460716si20040701_095629.cif
_cod_data_source_block           '_oka'
_cod_original_cell_volume        2347.2(4)
_cod_original_formula_sum        'C48 H86 O2 Ni2 P2 '
_cod_database_code               4112959
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Ni(1) Ni 0.5479(2) 0.1487(2) 0.71857(9) 0.0376(6) Uani 1.00 1 d
Ni(2) Ni 0.7620(2) 0.1035(2) 0.78236(9) 0.0368(6) Uani 1.00 1 d
P(1) P 0.7756(4) 0.1709(5) 0.8587(2) 0.038(1) Uani 1.00 1 d
P(2) P 0.5076(4) 0.2642(5) 0.6377(2) 0.040(1) Uani 1.00 1 d
O(1) O 0.580(1) 0.083(1) 0.7938(4) 0.053(4) Uani 1.00 1 d
O(2) O 0.754(1) 0.067(1) 0.7090(5) 0.050(4) Uani 1.00 1 d
C(1) C 0.600(2) 0.249(2) 0.9024(6) 0.036(5) Uani 1.00 1 d
C(2) C 0.998(2) -0.011(2) 0.7074(6) 0.041(5) Uani 1.00 1 d
C(3) C 0.868(2) 0.034(1) 0.9118(6) 0.035(4) Uani 1.00 1 d
C(4) C 0.323(1) 0.326(2) 0.6212(7) 0.042(5) Uani 1.00 1 d
C(5) C 0.629(2) 0.178(2) 0.5780(8) 0.052(5) Uani 1.00 1 d
C(6) C 1.095(2) -0.158(2) 0.9307(8) 0.057(6) Uani 1.00 1 d
C(7) C 0.353(2) 0.083(2) 0.8001(7) 0.049(5) Uani 1.00 1 d
C(8) C 1.025(1) -0.043(2) 0.8875(7) 0.044(5) Uani 1.00 1 d
C(9) C 0.950(2) 0.102(2) 0.7482(7) 0.052(6) Uani 1.00 1 d
C(10) C 0.353(1) 0.202(2) 0.7535(7) 0.041(5) Uani 1.00 1 d
C(11) C 0.597(2) 0.284(2) 0.9608(8) 0.061(7) Uani 1.00 1 d
C(12) C 0.870(2) 0.294(2) 0.8474(7) 0.044(5) Uani 1.00 1 d
C(13) C 0.883(2) 0.004(2) 0.6744(6) 0.044(5) Uani 1.00 1 d
C(14) C 0.900(2) 0.338(2) 0.8978(8) 0.059(6) Uani 1.00 1 d
C(15) C 0.538(2) 0.425(2) 0.6347(7) 0.041(5) Uani 1.00 1 d
C(16) C 0.471(2) 0.055(2) 0.8325(6) 0.046(5) Uani 1.00 1 d
C(17) C 0.373(2) -0.052(2) 0.7793(8) 0.055(6) Uani 1.00 1 d
C(18) C 0.079(2) 0.388(2) 0.5626(9) 0.065(7) Uani 1.00 1 d
C(19) C 0.500(2) 0.369(2) 0.8686(8) 0.065(7) Uani 1.00 1 d
C(20) C 0.691(2) 0.404(2) 0.6409(9) 0.059(6) Uani 1.00 1 d
C(21) C 0.621(2) 0.039(2) 0.5701(8) 0.076(7) Uani 1.00 1 d
C(22) C 0.348(2) 0.408(2) 0.9024(9) 0.063(7) Uani 1.00 1 d
C(23) C 0.799(2) -0.081(2) 0.9284(8) 0.063(6) Uani 1.00 1 d
C(24) C 0.605(2) 0.640(2) 0.6784(8) 0.067(7) Uani 1.00 1 d
C(25) C 0.437(2) 0.521(2) 0.6769(8) 0.053(6) Uani 1.00 1 d
C(26) C 0.999(2) 0.419(2) 0.8797(9) 0.069(7) Uani 1.00 1 d
C(27) C 0.113(2) 0.274(2) 0.6130(9) 0.062(6) Uani 1.00 1 d
C(28) C 0.453(2) 0.663(2) 0.6708(9) 0.061(6) Uani 1.00 1 d
C(29) C 0.713(2) 0.541(2) 0.638(1) 0.070(7) Uani 1.00 1 d
C(30) C 0.944(2) 0.545(2) 0.838(1) 0.074(8) Uani 1.00 1 d
C(31) C 0.273(2) 0.213(2) 0.6142(9) 0.058(6) Uani 1.00 1 d
C(32) C 0.133(2) 0.502(2) 0.5659(8) 0.055(6) Uani 1.00 1 d
C(33) C 1.040(2) -0.163(2) 0.7333(8) 0.065(6) Uani 1.00 1 d
C(34) C 0.343(2) 0.444(2) 0.962(1) 0.077(8) Uani 1.00 1 d
C(35) C 0.806(2) 0.424(2) 0.8062(9) 0.070(7) Uani 1.00 1 d
C(36) C 0.759(2) 0.040(2) 0.4712(9) 0.078(8) Uani 1.00 1 d
C(37) C 0.508(3) -0.097(2) 0.854(1) 0.10(1) Uani 1.00 1 d
C(38) C 1.032(2) -0.238(2) 0.6862(9) 0.075(7) Uani 1.00 1 d
C(39) C 0.906(2) 0.504(2) 0.787(1) 0.085(9) Uani 1.00 1 d
C(40) C 0.768(3) 0.178(2) 0.4777(9) 0.094(9) Uani 1.00 1 d
C(41) C 0.643(2) 0.261(2) 0.5186(7) 0.080(7) Uani 1.00 1 d
C(42) C 0.740(2) -0.038(2) 0.527(1) 0.096(8) Uani 1.00 1 d
C(43) C 0.907(2) -0.139(3) 0.661(1) 0.12(1) Uani 1.00 1 d
C(44) C 1.027(2) -0.262(2) 0.953(1) 0.066(7) Uani 1.00 1 d
C(45) C 0.873(2) -0.189(2) 0.973(1) 0.094(9) Uani 1.00 1 d
C(46) C 0.291(2) 0.443(2) 0.5700(9) 0.076(8) Uani 1.00 1 d
C(47) C 0.447(2) 0.324(2) 0.9925(7) 0.061(6) Uani 1.00 1 d
C(48) C 0.477(3) -0.157(3) 0.809(2) 0.14(1) Uani 1.00 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.339 1.112
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 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
O(1) Ni(1) P(2) 167.9(5)
O(2) Ni(1) P(2) 103.4(4)
Ni(1) P(2) C(4) 117.9(5)
Ni(1) P(2) C(5) 113.1(5)
C(10) Ni(1) P(2) 95.5(5)
Ni(1) P(2) C(15) 108.1(6)
Ni(1) O(1) Ni(2) 95.0(5)
O(2) Ni(1) O(1) 78.0(4)
C(10) Ni(1) O(1) 83.1(5)
Ni(1) O(1) C(16) 117(1)
Ni(1) O(2) Ni(2) 93.6(4)
C(10) Ni(1) O(2) 161.0(6)
Ni(1) O(2) C(13) 149(1)
Ni(1) C(10) C(7) 103.0(9)
O(1) Ni(2) P(1) 106.4(4)
O(2) Ni(2) P(1) 171.7(4)
Ni(2) P(1) C(1) 112.7(6)
Ni(2) P(1) C(3) 116.6(6)
C(9) Ni(2) P(1) 91.6(6)
Ni(2) P(1) C(12) 114.2(6)
O(2) Ni(2) O(1) 78.1(5)
Ni(2) O(1) C(16) 147(1)
C(9) Ni(2) O(1) 162.0(7)
Ni(2) O(2) C(13) 117(1)
C(9) Ni(2) O(2) 84.1(7)
Ni(2) C(9) C(2) 101(1)
C(3) P(1) C(1) 100.9(6)
C(12) P(1) C(1) 108.7(8)
P(1) C(1) C(11) 117(1)
P(1) C(1) C(19) 112(1)
C(12) P(1) C(3) 102.4(8)
P(1) C(3) C(8) 111(1)
P(1) C(3) C(23) 110(1)
P(1) C(12) C(14) 119(1)
P(1) C(12) C(35) 112(1)
C(5) P(2) C(4) 109.0(9)
C(15) P(2) C(4) 102.9(8)
P(2) C(4) C(31) 115(1)
P(2) C(4) C(46) 114(1)
C(15) P(2) C(5) 104.5(8)
P(2) C(5) C(21) 114(1)
P(2) C(5) C(41) 120(1)
P(2) C(15) C(20) 114(1)
P(2) C(15) C(25) 113(1)
O(1) C(16) C(7) 107(1)
O(1) C(16) C(37) 112(1)
O(2) C(13) C(2) 106(1)
O(2) C(13) C(43) 114(1)
C(19) C(1) C(11) 111(1)
C(1) C(11) C(47) 109(1)
C(1) C(19) C(22) 109(1)
C(13) C(2) C(9) 111(1)
C(33) C(2) C(9) 117(1)
C(33) C(2) C(13) 102(1)
C(2) C(13) C(43) 107(1)
C(2) C(33) C(38) 103(1)
C(23) C(3) C(8) 106(1)
C(3) C(8) C(6) 110(1)
C(3) C(23) C(45) 109(1)
C(46) C(4) C(31) 109(1)
C(4) C(31) C(27) 109(1)
C(4) C(46) C(32) 110(1)
C(41) C(5) C(21) 108(1)
C(5) C(21) C(42) 112(1)
C(5) C(41) C(40) 111(1)
C(44) C(6) C(8) 116(1)
C(6) C(44) C(45) 109(1)
C(16) C(7) C(10) 108(1)
C(17) C(7) C(10) 115(1)
C(17) C(7) C(16) 106(1)
C(7) C(16) C(37) 103(2)
C(7) C(17) C(48) 105(2)
C(11) C(47) C(34) 113(1)
C(35) C(12) C(14) 109(1)
C(12) C(14) C(26) 111(1)
C(12) C(35) C(39) 110(1)
C(13) C(43) C(38) 107(2)
C(14) C(26) C(30) 112(1)
C(25) C(15) C(20) 108(1)
C(15) C(20) C(29) 112(1)
C(15) C(25) C(28) 114(1)
C(16) C(37) C(48) 103(2)
C(17) C(48) C(37) 110(2)
C(18) C(27) C(31) 109(1)
C(32) C(18) C(27) 111(1)
C(18) C(32) C(46) 111(1)
C(19) C(22) C(34) 110(1)
C(20) C(29) C(24) 113(1)
C(21) C(42) C(36) 115(1)
C(22) C(34) C(47) 109(1)
C(23) C(45) C(44) 113(1)
C(24) C(28) C(25) 108(1)
C(29) C(24) C(28) 111(2)
C(26) C(30) C(39) 110(2)
C(30) C(39) C(35) 111(1)
C(33) C(38) C(43) 104(1)
C(36) C(40) C(41) 112(2)
C(42) C(36) C(40) 111(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ni(1) P(2) 2.135(5)
Ni(1) O(1) 1.87(1)
Ni(1) O(2) 1.96(1)
Ni(1) C(10) 1.93(1)
Ni(2) P(1) 2.125(5)
Ni(2) O(1) 1.94(1)
Ni(2) O(2) 1.89(1)
Ni(2) C(9) 1.96(2)
P(1) C(1) 1.86(1)
P(1) C(3) 1.86(1)
P(1) C(12) 1.85(2)
P(2) C(4) 1.88(2)
P(2) C(5) 1.82(2)
P(2) C(15) 1.81(2)
O(1) C(16) 1.40(2)
O(2) C(13) 1.41(2)
C(1) P(1) 1.86(1)
C(1) C(11) 1.50(3)
C(1) C(19) 1.53(2)
C(2) C(9) 1.53(3)
C(2) C(13) 1.51(3)
C(2) C(33) 1.53(2)
C(3) C(8) 1.55(2)
C(3) C(23) 1.57(3)
C(4) C(31) 1.49(3)
C(4) C(46) 1.56(3)
C(5) C(21) 1.53(3)
C(5) C(41) 1.54(2)
C(6) C(8) 1.51(2)
C(6) C(44) 1.47(3)
C(7) C(10) 1.52(2)
C(7) C(16) 1.50(3)
C(7) C(17) 1.51(3)
C(11) C(1) 1.50(3)
C(11) C(47) 1.52(2)
C(12) C(14) 1.50(3)
C(12) C(35) 1.55(2)
C(13) C(43) 1.50(4)
C(14) C(26) 1.52(3)
C(15) C(20) 1.56(3)
C(15) C(25) 1.50(2)
C(16) C(37) 1.51(3)
C(17) C(48) 1.42(3)
C(18) C(27) 1.54(3)
C(18) C(32) 1.50(3)
C(19) C(1) 1.53(2)
C(19) C(22) 1.55(2)
C(20) C(29) 1.51(3)
C(21) C(5) 1.53(3)
C(21) C(42) 1.51(3)
C(22) C(34) 1.52(3)
C(23) C(45) 1.51(3)
C(24) C(28) 1.54(3)
C(24) C(29) 1.52(3)
C(25) C(28) 1.54(3)
C(26) C(14) 1.52(3)
C(26) C(30) 1.50(3)
C(27) C(31) 1.55(2)
C(30) C(26) 1.50(3)
C(30) C(39) 1.52(4)
C(32) C(46) 1.54(3)
C(33) C(38) 1.51(3)
C(34) C(47) 1.51(3)
C(35) C(39) 1.52(4)
C(36) C(40) 1.50(4)
C(36) C(42) 1.46(3)
C(37) C(48) 1.47(5)
C(38) C(43) 1.50(3)
C(40) C(41) 1.52(3)
C(42) C(21) 1.51(3)
C(44) C(45) 1.51(3)
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Ni(1) Ni(2) 2.811(3) .
Ni(1) C(4) 3.45(2) .
Ni(1) C(5) 3.30(2) .
Ni(1) C(7) 2.71(2) .
Ni(1) C(13) 3.26(1) .
Ni(1) C(15) 3.20(2) .
Ni(1) C(16) 2.80(1) .
Ni(1) C(17) 3.24(2) .
Ni(1) C(20) 3.60(2) .
Ni(2) C(1) 3.32(2) .
Ni(2) C(2) 2.72(1) .
Ni(2) C(3) 3.39(2) .
Ni(2) C(12) 3.34(2) .
Ni(2) C(13) 2.83(2) .
Ni(2) C(16) 3.21(2) .
Ni(2) C(33) 3.33(2) .
P(1) O(1) 3.26(2) .
P(1) C(8) 2.83(1) .
P(1) C(9) 2.93(2) .
P(1) C(11) 2.89(2) .
P(1) C(14) 2.89(3) .
P(1) C(19) 2.82(2) .
P(1) C(23) 2.81(2) .
P(1) C(35) 2.82(2) .
P(2) O(2) 3.22(1) .
P(2) C(10) 3.01(2) .
P(2) C(20) 2.83(2) .
P(2) C(21) 2.82(2) .
P(2) C(25) 2.77(2) .
P(2) C(31) 2.86(2) .
P(2) C(41) 2.92(2) .
P(2) C(46) 2.91(2) .
O(1) O(2) 2.41(1) .
O(1) C(1) 3.45(2) .
O(1) C(7) 2.33(2) .
O(1) C(10) 2.52(2) .
O(1) C(17) 3.08(3) .
O(1) C(19) 3.49(3) .
O(1) C(37) 2.42(3) .
O(1) C(48) 3.01(4) .
O(2) C(2) 2.35(2) .
O(2) C(5) 3.50(2) .
O(2) C(9) 2.58(2) .
O(2) C(20) 3.49(2) .
O(2) C(33) 3.12(2) .
O(2) C(38) 3.43(2) .
O(2) C(43) 2.45(3) .
C(1) Ni(2) 3.32(2) .
C(1) O(1) 3.45(2) .
C(1) C(3) 2.87(2) .
C(1) C(12) 3.01(2) .
C(1) C(14) 3.55(3) .
C(1) C(16) 3.59(3) .
C(1) C(22) 2.52(2) .
C(1) C(23) 3.30(2) .
C(1) C(34) 2.94(2) .
C(1) C(35) 3.56(3) .
C(1) C(47) 2.46(2) .
C(2) C(38) 2.39(3) .
C(2) C(43) 2.43(4) .
C(3) C(1) 2.87(2) .
C(3) C(6) 2.51(2) .
C(3) C(11) 3.21(2) .
C(3) C(12) 2.89(2) .
C(3) C(14) 3.26(3) .
C(3) C(44) 2.99(2) .
C(3) C(45) 2.51(3) .
C(4) C(5) 3.01(2) .
C(4) C(10) 3.25(2) .
C(4) C(15) 2.89(3) .
C(4) C(18) 2.95(3) .
C(4) C(21) 3.57(2) .
C(4) C(25) 3.28(3) .
C(4) C(27) 2.49(3) .
C(4) C(32) 2.56(2) .
C(5) C(15) 2.86(3) .
C(5) C(20) 3.32(3) .
C(5) C(31) 3.51(3) .
C(5) C(36) 2.98(3) .
C(5) C(40) 2.54(3) .
C(5) C(42) 2.52(3) .
C(5) C(46) 3.57(2) .
C(6) C(23) 2.88(3) .
C(6) C(45) 2.44(3) .
C(7) C(37) 2.35(3) .
C(7) C(48) 2.34(3) .
C(8) C(9) 3.54(2) .
C(8) C(12) 3.32(2) .
C(8) C(23) 2.49(3) .
C(8) C(44) 2.53(3) .
C(8) C(45) 2.90(3) .
C(9) C(12) 3.16(3) .
C(9) C(13) 2.52(3) .
C(9) C(33) 2.62(3) .
C(9) C(35) 3.53(3) .
C(10) C(16) 2.45(2) .
C(10) C(17) 2.56(3) .
C(10) C(31) 3.59(3) .
C(10) C(48) 3.58(3) .
C(11) C(12) 3.53(2) .
C(11) C(14) 3.41(3) .
C(11) C(19) 2.51(3) .
C(11) C(22) 2.95(3) .
C(11) C(34) 2.53(2) .
C(12) C(1) 3.01(2) .
C(12) C(19) 3.57(3) .
C(12) C(26) 2.49(3) .
C(12) C(30) 2.95(3) .
C(12) C(39) 2.52(3) .
C(13) C(33) 2.38(2) .
C(13) C(38) 2.41(2) .
C(14) C(1) 3.55(3) .
C(14) C(30) 2.51(3) .
C(14) C(35) 2.48(3) .
C(14) C(39) 2.91(3) .
C(15) C(24) 2.98(3) .
C(15) C(28) 2.55(3) .
C(15) C(29) 2.55(3) .
C(15) C(41) 3.30(3) .
C(15) C(46) 3.20(3) .
C(16) C(1) 3.59(3) .
C(16) C(17) 2.41(3) .
C(16) C(48) 2.34(4) .
C(17) C(37) 2.37(4) .
C(18) C(31) 2.53(2) .
C(18) C(46) 2.51(3) .
C(19) C(34) 2.53(3) .
C(19) C(35) 3.44(3) .
C(19) C(47) 2.91(3) .
C(20) C(24) 2.53(3) .
C(20) C(25) 2.49(2) .
C(20) C(28) 2.97(2) .
C(21) P(2) 2.82(2) .
C(21) C(4) 3.57(2) .
C(21) C(31) 3.40(3) .
C(21) C(36) 2.51(3) .
C(21) C(40) 2.91(3) .
C(21) C(41) 2.49(3) .
C(22) C(1) 2.52(2) .
C(22) C(47) 2.47(3) .
C(23) C(1) 3.30(2) .
C(23) C(44) 2.51(2) .
C(24) C(25) 2.50(3) .
C(25) C(29) 2.90(3) .
C(25) C(46) 3.59(3) .
C(26) C(12) 2.49(3) .
C(26) C(35) 2.92(4) .
C(26) C(39) 2.49(3) .
C(27) C(32) 2.51(3) .
C(27) C(46) 2.94(3) .
C(28) C(29) 2.53(2) .
C(30) C(35) 2.52(4) .
C(31) C(21) 3.40(3) .
C(31) C(32) 2.95(2) .
C(31) C(46) 2.50(3) .
C(33) C(43) 2.37(4) .
C(34) C(1) 2.94(2) .
C(34) C(44) 3.56(2) 46501
C(35) C(1) 3.56(3) .
C(35) C(26) 2.92(4) .
C(36) C(21) 2.51(3) .
C(36) C(41) 2.51(3) .
C(39) C(26) 2.49(3) .
C(40) C(21) 2.91(3) .
C(40) C(42) 2.44(4) .
C(41) C(21) 2.49(3) .
C(41) C(42) 2.88(3) .
C(41) C(46) 3.49(3) .
C(44) C(34) 3.56(2) 64501
C(47) C(1) 2.46(2) .
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
O(1) Ni(1) P(2) C(4) -99(1)
O(1) Ni(1) P(2) C(5) 132(1)
O(1) Ni(1) P(2) C(15) 17(1)
O(2) Ni(1) P(2) C(4) 166.0(7)
O(2) Ni(1) P(2) C(5) 37.2(8)
O(2) Ni(1) P(2) C(15) -77.9(5)
C(10) Ni(1) P(2) C(4) -16.4(7)
C(10) Ni(1) P(2) C(5) -145.1(8)
C(10) Ni(1) P(2) C(15) 99.7(5)
P(2) Ni(1) O(1) Ni(2) -69(1)
P(2) Ni(1) O(1) C(16) 105(2)
O(2) Ni(1) O(1) Ni(2) 28.7(4)
O(2) Ni(1) O(1) C(16) -156(1)
C(10) Ni(1) O(1) Ni(2) -153.0(5)
C(10) Ni(1) O(1) C(16) 21(1)
P(2) Ni(1) O(2) Ni(2) 138.3(4)
P(2) Ni(1) O(2) C(13) -39(2)
O(1) Ni(1) O(2) Ni(2) -29.5(4)
O(1) Ni(1) O(2) C(13) 152(2)
C(10) Ni(1) O(2) Ni(2) -34(1)
C(10) Ni(1) O(2) C(13) 147(1)
P(2) Ni(1) C(10) C(7) 154(1)
O(1) Ni(1) C(10) C(7) -37(1)
O(2) Ni(1) C(10) C(7) -32(2)
O(1) Ni(2) P(1) C(1) -19.8(6)
O(1) Ni(2) P(1) C(3) 96.2(6)
O(1) Ni(2) P(1) C(12) -144.5(5)
C(9) Ni(2) P(1) C(1) 161.1(6)
C(9) Ni(2) P(1) C(3) -82.9(6)
C(9) Ni(2) P(1) C(12) 36.3(5)
P(1) Ni(2) O(1) Ni(1) 142.9(4)
P(1) Ni(2) O(1) C(16) -28(2)
O(2) Ni(2) O(1) Ni(1) -29.9(4)
O(2) Ni(2) O(1) C(16) 158(2)
C(9) Ni(2) O(1) Ni(1) -39(1)
C(9) Ni(2) O(1) C(16) 148(1)
O(1) Ni(2) O(2) Ni(1) 28.3(4)
O(1) Ni(2) O(2) C(13) -153(1)
C(9) Ni(2) O(2) Ni(1) -154.8(5)
C(9) Ni(2) O(2) C(13) 23(1)
P(1) Ni(2) C(9) C(2) 151.7(9)
O(1) Ni(2) C(9) C(2) -25(2)
O(2) Ni(2) C(9) C(2) -35.4(9)
Ni(2) P(1) C(1) C(11) 172(1)
Ni(2) P(1) C(1) C(19) -55(1)
C(3) P(1) C(1) C(11) 47(1)
C(3) P(1) C(1) C(19) 179(1)
C(12) P(1) C(1) C(11) -60(1)
C(12) P(1) C(1) C(19) 72(1)
Ni(2) P(1) C(3) C(8) 61(1)
Ni(2) P(1) C(3) C(23) -56(1)
C(1) P(1) C(3) C(8) -175(1)
C(1) P(1) C(3) C(23) 66(1)
C(12) P(1) C(3) C(8) -63(1)
C(12) P(1) C(3) C(23) 178.5(9)
Ni(2) P(1) C(12) C(14) -173(1)
Ni(2) P(1) C(12) C(35) 56(1)
C(1) P(1) C(12) C(14) 59(1)
C(1) P(1) C(12) C(35) -70(1)
C(3) P(1) C(12) C(14) -46(1)
C(3) P(1) C(12) C(35) -176(1)
Ni(1) P(2) C(4) C(31) -67(1)
Ni(1) P(2) C(4) C(46) 163(1)
C(5) P(2) C(4) C(31) 62(1)
C(5) P(2) C(4) C(46) -65(1)
C(15) P(2) C(4) C(31) 173(1)
C(15) P(2) C(4) C(46) 44(1)
Ni(1) P(2) C(5) C(21) 64(1)
Ni(1) P(2) C(5) C(41) -163(1)
C(4) P(2) C(5) C(21) -68(1)
C(4) P(2) C(5) C(41) 63(1)
C(15) P(2) C(5) C(21) -178(1)
C(15) P(2) C(5) C(41) -46(1)
Ni(1) P(2) C(15) C(20) 60(1)
Ni(1) P(2) C(15) C(25) -65(1)
C(4) P(2) C(15) C(20) -174(1)
C(4) P(2) C(15) C(25) 60(1)
C(5) P(2) C(15) C(20) -60(1)
C(5) P(2) C(15) C(25) 173(1)
Ni(1) O(1) C(16) C(7) 1(1)
Ni(1) O(1) C(16) C(37) 114(1)
Ni(2) O(1) C(16) C(7) 172(1)
Ni(2) O(1) C(16) C(37) -74(3)
Ni(1) O(2) C(13) C(2) 174(1)
Ni(1) O(2) C(13) C(43) -67(2)
Ni(2) O(2) C(13) C(2) -2(1)
Ni(2) O(2) C(13) C(43) 115(1)
P(1) C(1) C(11) C(47) -171(1)
C(19) C(1) C(11) C(47) 56(2)
P(1) C(1) C(19) C(22) 167(1)
C(11) C(1) C(19) C(22) -57(2)
C(13) C(2) C(9) Ni(2) 44(1)
C(33) C(2) C(9) Ni(2) -74(1)
C(9) C(2) C(13) O(2) -28(1)
C(9) C(2) C(13) C(43) -151(1)
C(33) C(2) C(13) O(2) 98(1)
C(33) C(2) C(13) C(43) -24(1)
C(9) C(2) C(33) C(38) 161(1)
C(13) C(2) C(33) C(38) 38(1)
P(1) C(3) C(8) C(6) -177(1)
C(23) C(3) C(8) C(6) -57(2)
P(1) C(3) C(23) C(45) -178(1)
C(8) C(3) C(23) C(45) 60(1)
P(2) C(4) C(31) C(27) 168(1)
C(46) C(4) C(31) C(27) -60(1)
P(2) C(4) C(46) C(32) -171(1)
C(31) C(4) C(46) C(32) 57(2)
P(2) C(5) C(21) C(42) -170(1)
C(41) C(5) C(21) C(42) 52(2)
P(2) C(5) C(41) C(40) 169(2)
C(21) C(5) C(41) C(40) -55(2)
C(44) C(6) C(8) C(3) 55(2)
C(8) C(6) C(44) C(45) -50(2)
C(16) C(7) C(10) Ni(1) 47(1)
C(17) C(7) C(10) Ni(1) -71(1)
C(10) C(7) C(16) O(1) -32(1)
C(10) C(7) C(16) C(37) -152(1)
C(17) C(7) C(16) O(1) 92(1)
C(17) C(7) C(16) C(37) -27(1)
C(10) C(7) C(17) C(48) 132(1)
C(16) C(7) C(17) C(48) 12(2)
C(1) C(11) C(47) C(34) -56(2)
P(1) C(12) C(14) C(26) 170(1)
C(35) C(12) C(14) C(26) -57(1)
P(1) C(12) C(35) C(39) -166(1)
C(14) C(12) C(35) C(39) 58(1)
O(2) C(13) C(43) C(38) -117(1)
C(2) C(13) C(43) C(38) 1(1)
C(12) C(14) C(26) C(30) 56(2)
P(2) C(15) C(20) C(29) 179(1)
C(25) C(15) C(20) C(29) -52(2)
P(2) C(15) C(25) C(28) -174(1)
C(20) C(15) C(25) C(28) 57(1)
O(1) C(16) C(37) C(48) -83(2)
C(7) C(16) C(37) C(48) 31(2)
C(7) C(17) C(48) C(37) 8(2)
C(32) C(18) C(27) C(31) -57(2)
C(27) C(18) C(32) C(46) 54(1)
C(1) C(19) C(22) C(34) 56(2)
C(15) C(20) C(29) C(24) 51(2)
C(5) C(21) C(42) C(36) -52(3)
C(19) C(22) C(34) C(47) -55(2)
C(3) C(23) C(45) C(44) -59(2)
C(29) C(24) C(28) C(25) 54(2)
C(28) C(24) C(29) C(20) -53(2)
C(15) C(25) C(28) C(24) -58(2)
C(14) C(26) C(30) C(39) -52(2)
C(18) C(27) C(31) C(4) 60(2)
C(26) C(30) C(39) C(35) 53(2)
C(18) C(32) C(46) C(4) -54(2)
C(2) C(33) C(38) C(43) -38(2)
C(22) C(34) C(47) C(11) 56(2)
C(12) C(35) C(39) C(30) -56(2)
C(42) C(36) C(40) C(41) -52(2)
C(40) C(36) C(42) C(21) 51(3)
C(16) C(37) C(48) C(17) -25(3)
C(33) C(38) C(43) C(13) 23(2)
C(36) C(40) C(41) C(5) 56(2)
C(6) C(44) C(45) C(23) 52(3)
