#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/19/4111950.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_4111950
loop_
_publ_author_name
'Sensuke Ogoshi'
'Mizu Ueta'
'Tomoya Arai'
'Hideo Kurosawa'
_publ_section_title
;
 AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on
 Nickel(0). Observation of Intermediate in Methyl Transfer Process
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12810
_journal_page_last               12811
_journal_paper_doi               10.1021/ja0542486
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C37 H56 Al O Ni P '
_chemical_formula_sum            'C37 H56 Al Ni O P'
_chemical_formula_weight         633.50
_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                68.703(1)
_cell_angle_beta                 74.016(3)
_cell_angle_gamma                88.774(3)
_cell_formula_units_Z            3
_cell_length_a                   12.1325(5)
_cell_length_b                   12.2280(6)
_cell_length_c                   14.3338(7)
_cell_measurement_reflns_used    7583
_cell_measurement_temperature    273.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     1897.34(16)
_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 0.9776
_diffrn_measured_fraction_theta_max 0.9776
_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  0.060
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17740
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_description       block
_exptl_crystal_F_000             1026.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.86
_refine_diff_density_min         -1.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   5.081
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     465
_refine_ls_number_reflns         10395
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.5960
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0990
_reflns_number_gt                10395
_reflns_number_total             17740
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja0542486si20050628_122816.cif
_cod_data_source_block           '_mizu3____________________'
_cod_original_cell_volume        1897.3(2)
_cod_original_formula_sum        'C37 H56 Al O Ni P '
_cod_database_code               4111950
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
_atom_site_refinement_flags
Ni(1) Ni 0.73498(6) 0.52188(6) 0.69829(6) 0.0306(2) Uani 1.00 1 d .
P(1) P 0.7269(1) 0.3334(1) 0.7306(1) 0.0301(4) Uani 1.00 1 d .
Al(1) Al 0.7281(1) 0.7183(2) 0.5357(1) 0.0403(5) Uani 1.00 1 d .
O(1) O 0.7184(3) 0.6839(3) 0.6707(3) 0.037(1) Uani 1.00 1 d .
C(1) C 0.6680(5) 0.5006(5) 0.8427(4) 0.038(2) Uani 1.00 1 d .
C(2) C 0.6028(5) 0.6083(5) 0.8476(4) 0.038(2) Uani 1.00 1 d .
C(3) C 0.4768(5) 0.6027(6) 0.8440(5) 0.051(2) Uani 1.00 1 d .
C(4) C 0.4596(5) 0.7282(6) 0.7847(5) 0.046(2) Uani 1.00 1 d .
C(5) C 0.3586(6) 0.7802(7) 0.7733(7) 0.066(3) Uani 1.00 1 d .
C(6) C 0.3654(7) 0.8959(8) 0.7089(7) 0.075(3) Uani 1.00 1 d .
C(7) C 0.4689(7) 0.9613(7) 0.6552(6) 0.067(3) Uani 1.00 1 d .
C(8) C 0.5712(6) 0.9112(6) 0.6668(5) 0.053(2) Uani 1.00 1 d .
C(9) C 0.5649(5) 0.7953(5) 0.7317(5) 0.041(2) Uani 1.00 1 d .
C(10) C 0.6632(5) 0.7209(5) 0.7557(4) 0.036(2) Uani 1.00 1 d .
C(11) C 0.7533(5) 0.7868(5) 0.7773(5) 0.036(2) Uani 1.00 1 d .
C(12) C 0.7215(5) 0.8282(6) 0.8582(5) 0.048(2) Uani 1.00 1 d .
C(13) C 0.8001(6) 0.8891(6) 0.8793(6) 0.057(2) Uani 1.00 1 d .
C(14) C 0.9115(6) 0.9130(6) 0.8168(6) 0.053(2) Uani 1.00 1 d .
C(15) C 0.9446(6) 0.8765(6) 0.7359(6) 0.057(2) Uani 1.00 1 d .
C(16) C 0.8656(5) 0.8124(6) 0.7155(5) 0.050(2) Uani 1.00 1 d .
C(17) C 0.8457(6) 0.5981(6) 0.5274(6) 0.049(2) Uani 1.00 1 d .
C(18) C 0.8073(6) 0.8745(6) 0.4420(6) 0.064(2) Uani 1.00 1 d .
C(19) C 0.5813(6) 0.6861(7) 0.5140(6) 0.074(3) Uani 1.00 1 d .
C(20) C 0.5794(4) 0.2597(5) 0.7989(4) 0.035(2) Uani 1.00 1 d .
C(21) C 0.4880(4) 0.3308(5) 0.7535(5) 0.041(2) Uani 1.00 1 d .
C(22) C 0.3665(5) 0.2767(6) 0.8190(5) 0.052(2) Uani 1.00 1 d .
C(23) C 0.3510(5) 0.1498(6) 0.8323(6) 0.058(2) Uani 1.00 1 d .
C(24) C 0.4393(5) 0.0783(6) 0.8785(5) 0.056(2) Uani 1.00 1 d .
C(25) C 0.5625(5) 0.1314(5) 0.8117(5) 0.044(2) Uani 1.00 1 d .
C(26) C 0.8195(4) 0.2484(5) 0.8115(4) 0.035(2) Uani 1.00 1 d .
C(27) C 0.7784(5) 0.2253(6) 0.9277(5) 0.047(2) Uani 1.00 1 d .
C(28) C 0.8609(6) 0.1512(6) 0.9831(5) 0.058(2) Uani 1.00 1 d .
C(29) C 0.9819(6) 0.2107(7) 0.9371(6) 0.068(3) Uani 1.00 1 d .
C(30) C 1.0241(6) 0.2367(7) 0.8219(6) 0.068(3) Uani 1.00 1 d .
C(31) C 0.9418(5) 0.3096(6) 0.7646(5) 0.052(2) Uani 1.00 1 d .
C(32) C 0.7813(4) 0.3039(5) 0.6080(4) 0.034(1) Uani 1.00 1 d .
C(33) C 0.8167(5) 0.1812(5) 0.6145(5) 0.044(2) Uani 1.00 1 d .
C(34) C 0.8693(6) 0.1783(6) 0.5061(5) 0.054(2) Uani 1.00 1 d .
C(35) C 0.7915(6) 0.2218(7) 0.4360(6) 0.061(2) Uani 1.00 1 d .
C(36) C 0.7579(6) 0.3431(7) 0.4296(5) 0.057(2) Uani 1.00 1 d .
C(37) C 0.7019(5) 0.3450(6) 0.5369(5) 0.043(2) Uani 1.00 1 d .
H(1) H 0.6162 0.4314 0.8770 0.046 Uiso 1.00 1 c R
H(2) H 0.7270 0.4934 0.8760 0.046 Uiso 1.00 1 c R
H(3) H 0.6024 0.6177 0.9107 0.046 Uiso 1.00 1 c R
H(4) H 0.4663 0.5534 0.8085 0.060 Uiso 1.00 1 c R
H(5) H 0.4250 0.5745 0.9126 0.060 Uiso 1.00 1 c R
H(6) H 0.2860 0.7360 0.8097 0.087 Uiso 1.00 1 c R
H(7) H 0.2963 0.9316 0.7015 0.102 Uiso 1.00 1 c R
H(8) H 0.4712 1.0409 0.6100 0.088 Uiso 1.00 1 c R
H(9) H 0.6434 0.9561 0.6306 0.066 Uiso 1.00 1 c R
H(10) H 0.6437 0.8143 0.9003 0.059 Uiso 1.00 1 c R
H(11) H 0.7771 0.9143 0.9367 0.075 Uiso 1.00 1 c R
H(12) H 0.9657 0.9556 0.8305 0.066 Uiso 1.00 1 c R
H(13) H 1.0218 0.8943 0.6924 0.069 Uiso 1.00 1 c R
H(14) H 0.8900 0.7865 0.6587 0.061 Uiso 1.00 1 c R
H(15) H 0.9244 0.6031 0.5253 0.060 Uiso 1.00 1 c R
H(16) H 0.851(6) 0.538(7) 0.579(6) 0.08(3) Uiso 1.00 1 c .
H(17) H 0.8343 0.5478 0.4930 0.060 Uiso 1.00 1 c R
H(18) H 0.7530 0.9319 0.4356 0.073 Uiso 1.00 1 c R
H(19) H 0.8447 0.8727 0.3751 0.073 Uiso 1.00 1 c R
H(20) H 0.8628 0.8942 0.4703 0.073 Uiso 1.00 1 c R
H(21) H 0.5756 0.6074 0.5172 0.094 Uiso 1.00 1 c R
H(22) H 0.5774 0.7390 0.4476 0.094 Uiso 1.00 1 c R
H(23) H 0.5196 0.6957 0.5673 0.094 Uiso 1.00 1 c R
H(24) H 0.5630 0.2589 0.8679 0.042 Uiso 1.00 1 c R
H(25) H 0.4963 0.4088 0.7514 0.050 Uiso 1.00 1 c R
H(26) H 0.4993 0.3329 0.6845 0.050 Uiso 1.00 1 c R
H(27) H 0.3527 0.2812 0.8861 0.063 Uiso 1.00 1 c R
H(28) H 0.3129 0.3197 0.7857 0.063 Uiso 1.00 1 c R
H(29) H 0.2763 0.1177 0.8774 0.069 Uiso 1.00 1 c R
H(30) H 0.3586 0.1459 0.7659 0.069 Uiso 1.00 1 c R
H(31) H 0.4281 0.0774 0.9470 0.063 Uiso 1.00 1 c R
H(32) H 0.4297 0.0001 0.8816 0.063 Uiso 1.00 1 c R
H(33) H 0.5757 0.1271 0.7448 0.052 Uiso 1.00 1 c R
H(34) H 0.6159 0.0877 0.8450 0.051 Uiso 1.00 1 c R
H(35) H 0.8238 0.1737 0.8050 0.044 Uiso 1.00 1 c R
H(36) H 0.7752 0.2984 0.9372 0.057 Uiso 1.00 1 c R
H(37) H 0.7039 0.1844 0.9566 0.057 Uiso 1.00 1 c R
H(38) H 0.8353 0.1401 1.0551 0.075 Uiso 1.00 1 c R
H(39) H 0.8611 0.0769 0.9762 0.075 Uiso 1.00 1 c R
H(40) H 0.9826 0.2824 0.9485 0.090 Uiso 1.00 1 c R
H(41) H 1.0316 0.1603 0.9706 0.090 Uiso 1.00 1 c R
H(42) H 1.0977 0.2795 0.7945 0.086 Uiso 1.00 1 c R
H(43) H 1.0302 0.1645 0.8108 0.086 Uiso 1.00 1 c R
H(44) H 0.9681 0.3196 0.6929 0.062 Uiso 1.00 1 c R
H(45) H 0.9406 0.3845 0.7705 0.062 Uiso 1.00 1 c R
H(46) H 0.8501 0.3544 0.5705 0.041 Uiso 1.00 1 c R
H(47) H 0.8718 0.1603 0.6526 0.055 Uiso 1.00 1 c R
H(48) H 0.7508 0.1262 0.6496 0.055 Uiso 1.00 1 c R
H(49) H 0.9398 0.2269 0.4743 0.070 Uiso 1.00 1 c R
H(50) H 0.8838 0.0995 0.5130 0.070 Uiso 1.00 1 c R
H(51) H 0.8308 0.2246 0.3679 0.081 Uiso 1.00 1 c R
H(52) H 0.7240 0.1690 0.4636 0.081 Uiso 1.00 1 c R
H(53) H 0.8249 0.3969 0.3971 0.070 Uiso 1.00 1 c R
H(54) H 0.7054 0.3661 0.3889 0.071 Uiso 1.00 1 c R
H(55) H 0.6328 0.2941 0.5679 0.053 Uiso 1.00 1 c R
H(56) H 0.6843 0.4231 0.5302 0.053 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 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)
;
Al Al 0.064 0.051
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.339 1.112
;
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)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, 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
Al(1) Ni(1) P(1) 135.77(8)
O(1) Ni(1) P(1) 171.3(1)
C(1) Ni(1) P(1) 93.5(2)
C(17) Ni(1) P(1) 102.0(2)
Ni(1) P(1) C(20) 112.9(2)
Ni(1) P(1) C(26) 115.3(2)
Ni(1) P(1) C(32) 111.1(2)
Ni(1) Al(1) O(1) 44.6(1)
O(1) Ni(1) Al(1) 41.8(1)
C(1) Ni(1) Al(1) 124.4(2)
Ni(1) Al(1) C(17) 56.0(2)
C(17) Ni(1) Al(1) 47.4(2)
Ni(1) Al(1) C(18) 144.4(3)
Ni(1) Al(1) C(19) 101.5(2)
Ni(1) O(1) Al(1) 93.7(2)
C(1) Ni(1) O(1) 85.3(2)
Ni(1) O(1) C(10) 119.4(3)
C(17) Ni(1) O(1) 80.8(2)
Ni(1) C(1) C(2) 108.6(4)
C(17) Ni(1) C(1) 161.4(3)
Ni(1) C(17) Al(1) 76.6(2)
P(1) C(20) C(21) 112.7(3)
C(26) P(1) C(20) 105.8(2)
C(32) P(1) C(20) 108.3(3)
P(1) C(20) C(25) 116.5(4)
C(32) P(1) C(26) 102.7(3)
P(1) C(26) C(27) 116.8(4)
P(1) C(26) C(31) 109.0(4)
P(1) C(32) C(33) 119.2(4)
P(1) C(32) C(37) 112.2(4)
Al(1) O(1) C(10) 140.2(3)
C(17) Al(1) O(1) 90.6(3)
C(18) Al(1) O(1) 113.7(3)
C(19) Al(1) O(1) 113.0(3)
C(18) Al(1) C(17) 107.0(3)
C(19) Al(1) C(17) 116.2(4)
C(19) Al(1) C(18) 114.1(3)
O(1) C(10) C(2) 105.8(5)
O(1) C(10) C(9) 110.7(5)
O(1) C(10) C(11) 109.2(4)
C(1) C(2) C(3) 115.7(6)
C(1) C(2) C(10) 111.0(4)
C(10) C(2) C(3) 105.7(5)
C(2) C(3) C(4) 104.0(5)
C(2) C(10) C(9) 104.0(4)
C(2) C(10) C(11) 114.6(5)
C(3) C(4) C(9) 110.8(5)
C(3) C(4) C(5) 129.8(6)
C(9) C(4) C(5) 119.3(6)
C(4) C(5) C(6) 119.0(7)
C(4) C(9) C(10) 110.4(5)
C(4) C(9) C(8) 121.3(6)
C(5) C(6) C(7) 121.7(8)
C(6) C(7) C(8) 120.2(7)
C(7) C(8) C(9) 118.5(6)
C(8) C(9) C(10) 128.3(5)
C(9) C(10) C(11) 112.2(5)
C(10) C(11) C(16) 122.2(6)
C(10) C(11) C(12) 120.1(5)
C(16) C(11) C(12) 117.6(7)
C(11) C(12) C(13) 121.7(6)
C(11) C(16) C(15) 120.5(7)
C(12) C(13) C(14) 119.4(8)
C(13) C(14) C(15) 120.4(8)
C(14) C(15) C(16) 120.4(6)
C(25) C(20) C(21) 110.4(5)
C(20) C(21) C(22) 111.7(4)
C(20) C(25) C(24) 110.8(5)
C(21) C(22) C(23) 111.3(6)
C(22) C(23) C(24) 111.6(7)
C(23) C(24) C(25) 111.1(5)
C(31) C(26) C(27) 109.9(6)
C(26) C(27) C(28) 110.3(5)
C(26) C(31) C(30) 111.1(5)
C(27) C(28) C(29) 111.3(5)
C(28) C(29) C(30) 111.2(8)
C(29) C(30) C(31) 111.4(6)
C(37) C(32) C(33) 109.9(6)
C(32) C(33) C(34) 111.2(5)
C(32) C(37) C(36) 111.6(5)
C(33) C(34) C(35) 112.6(6)
C(34) C(35) C(36) 110.8(8)
C(35) C(36) C(37) 111.1(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ni(1) P(1) 2.179(2)
Ni(1) Al(1) 2.691(2)
Ni(1) O(1) 1.893(4)
Ni(1) C(1) 1.925(6)
Ni(1) C(17) 2.292(6)
P(1) C(20) 1.854(5)
P(1) C(26) 1.864(6)
P(1) C(32) 1.862(7)
Al(1) O(1) 1.796(5)
Al(1) C(17) 2.037(7)
Al(1) C(18) 1.970(6)
Al(1) C(19) 1.961(9)
O(1) C(10) 1.440(8)
C(1) C(2) 1.536(8)
C(2) C(3) 1.547(9)
C(2) C(10) 1.538(6)
C(3) C(4) 1.502(9)
C(4) C(5) 1.39(1)
C(4) C(9) 1.393(8)
C(5) C(6) 1.37(1)
C(6) C(7) 1.37(1)
C(7) C(8) 1.40(1)
C(8) C(9) 1.373(8)
C(9) C(10) 1.523(9)
C(10) C(11) 1.53(1)
C(11) C(12) 1.39(1)
C(11) C(16) 1.376(8)
C(12) C(13) 1.38(1)
C(13) C(14) 1.369(9)
C(14) C(15) 1.35(1)
C(15) C(16) 1.40(1)
C(20) C(21) 1.534(8)
C(20) C(25) 1.523(9)
C(21) C(22) 1.523(7)
C(22) C(23) 1.50(1)
C(23) C(24) 1.51(1)
C(24) C(25) 1.540(8)
C(26) C(27) 1.520(9)
C(26) C(31) 1.532(8)
C(27) C(28) 1.53(1)
C(28) C(29) 1.51(1)
C(29) C(30) 1.50(1)
C(30) C(31) 1.53(1)
C(32) C(33) 1.528(9)
C(32) C(37) 1.538(9)
C(33) C(34) 1.52(1)
C(34) C(35) 1.52(1)
C(35) C(34) 1.52(1)
C(35) C(36) 1.51(1)
C(36) C(35) 1.51(1)
C(36) C(37) 1.51(1)
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
Ni(1) C(2) 2.820(6)
Ni(1) C(3) 3.594(6)
Ni(1) C(10) 2.886(6)
Ni(1) C(20) 3.365(5)
Ni(1) C(21) 3.566(6)
Ni(1) C(26) 3.419(5)
Ni(1) C(32) 3.338(7)
P(1) C(1) 2.994(7)
P(1) C(17) 3.476(6)
P(1) C(21) 2.825(6)
P(1) C(25) 2.877(6)
P(1) C(27) 2.888(7)
P(1) C(31) 2.772(7)
P(1) C(33) 2.930(8)
P(1) C(37) 2.828(7)
Al(1) C(9) 3.389(7)
Al(1) C(10) 3.045(7)
O(1) C(1) 2.587(6)
O(1) C(2) 2.376(6)
O(1) C(3) 3.173(6)
O(1) C(4) 3.251(7)
O(1) C(8) 3.262(8)
O(1) C(9) 2.439(7)
O(1) C(11) 2.423(9)
O(1) C(16) 2.749(9)
O(1) C(17) 2.730(9)
O(1) C(18) 3.155(7)
O(1) C(19) 3.13(1)
C(1) C(3) 2.610(9)
C(1) C(10) 2.533(7)
C(1) C(11) 3.382(8)
C(1) C(20) 3.48(1)
C(1) C(27) 3.512(9)
C(2) C(4) 2.403(9)
C(2) C(9) 2.412(8)
C(2) C(11) 2.583(8)
C(2) C(12) 3.15(1)
C(3) C(5) 2.62(1)
C(3) C(9) 2.384(8)
C(3) C(10) 2.458(8)
C(4) C(6) 2.38(1)
C(4) C(7) 2.763(9)
C(4) C(8) 2.412(8)
C(4) C(10) 2.395(9)
C(5) C(7) 2.39(1)
C(5) C(8) 2.79(1)
C(5) C(9) 2.40(1)
C(6) C(8) 2.40(1)
C(6) C(9) 2.74(1)
C(7) C(9) 2.38(1)
C(8) C(10) 2.608(9)
C(8) C(11) 3.12(1)
C(8) C(12) 3.54(1)
C(9) C(11) 2.53(1)
C(9) C(12) 3.09(1)
C(9) C(16) 3.598(9)
C(10) C(12) 2.53(1)
C(10) C(16) 2.547(9)
C(11) C(13) 2.42(1)
C(11) C(14) 2.78(1)
C(11) C(15) 2.413(9)
C(12) C(14) 2.37(1)
C(12) C(15) 2.730(8)
C(12) C(16) 2.363(9)
C(13) C(15) 2.36(1)
C(13) C(16) 2.75(1)
C(14) C(16) 2.39(1)
C(17) C(18) 3.22(1)
C(17) C(19) 3.39(1)
C(17) C(32) 3.391(9)
C(17) C(37) 3.53(1)
C(18) C(19) 3.30(1)
C(20) C(22) 2.531(8)
C(20) C(23) 2.945(9)
C(20) C(24) 2.522(8)
C(20) C(26) 2.965(8)
C(20) C(27) 3.36(1)
C(20) C(32) 3.012(7)
C(20) C(37) 3.398(8)
C(21) C(23) 2.499(9)
C(21) C(24) 2.927(8)
C(21) C(25) 2.510(8)
C(21) C(37) 3.404(8)
C(22) C(24) 2.49(1)
C(22) C(25) 2.939(9)
C(23) C(25) 2.516(9)
C(25) C(26) 3.456(9)
C(25) C(32) 3.394(7)
C(25) C(33) 3.450(8)
C(26) C(28) 2.50(1)
C(26) C(29) 2.94(1)
C(26) C(30) 2.526(9)
C(26) C(32) 2.911(9)
C(26) C(33) 3.22(1)
C(27) C(29) 2.51(1)
C(27) C(30) 2.929(9)
C(27) C(31) 2.498(8)
C(28) C(30) 2.484(9)
C(28) C(31) 2.917(9)
C(29) C(31) 2.51(1)
C(31) C(32) 3.37(1)
C(32) C(34) 2.52(1)
C(32) C(35) 2.95(1)
C(32) C(36) 2.52(1)
C(33) C(35) 2.53(1)
C(33) C(36) 2.937(9)
C(33) C(37) 2.511(9)
C(34) C(36) 2.49(1)
C(34) C(37) 2.91(1)
C(35) C(32) 2.95(1)
C(35) C(33) 2.53(1)
C(35) C(37) 2.49(1)
C(37) C(35) 2.49(1)
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
Al(1) Ni(1) P(1) C(20) -94.5(2)
Al(1) Ni(1) P(1) C(26) 143.8(2)
Al(1) Ni(1) P(1) C(32) 27.4(2)
C(1) Ni(1) P(1) C(20) 56.4(2)
C(1) Ni(1) P(1) C(26) -65.3(2)
C(1) Ni(1) P(1) C(32) 178.3(2)
C(17) Ni(1) P(1) C(20) -133.9(2)
C(17) Ni(1) P(1) C(26) 104.4(2)
C(17) Ni(1) P(1) C(32) -12.0(2)
P(1) Ni(1) Al(1) O(1) 167.8(2)
P(1) Ni(1) Al(1) C(17) -57.4(3)
P(1) Ni(1) Al(1) C(18) -127.8(4)
P(1) Ni(1) Al(1) C(19) 56.5(3)
O(1) Ni(1) Al(1) C(17) 134.7(3)
O(1) Ni(1) Al(1) C(18) 64.4(4)
O(1) Ni(1) Al(1) C(19) -111.3(3)
C(1) Ni(1) Al(1) O(1) 23.8(2)
C(1) Ni(1) Al(1) C(17) 158.6(3)
C(1) Ni(1) Al(1) C(18) 88.2(4)
C(1) Ni(1) Al(1) C(19) -87.5(3)
C(17) Ni(1) Al(1) O(1) -134.7(2)
C(17) Ni(1) Al(1) C(18) -70.3(4)
C(17) Ni(1) Al(1) C(19) 114.0(3)
Al(1) Ni(1) O(1) C(10) 156.9(5)
C(1) Ni(1) O(1) Al(1) -160.5(2)
C(1) Ni(1) O(1) C(10) -3.6(4)
C(17) Ni(1) O(1) Al(1) 32.0(1)
C(17) Ni(1) O(1) C(10) -171.1(4)
P(1) Ni(1) C(1) C(2) -150.9(4)
Al(1) Ni(1) C(1) C(2) 4.9(5)
O(1) Ni(1) C(1) C(2) 20.5(4)
C(17) Ni(1) C(1) C(2) 62.4(8)
P(1) Ni(1) C(17) Al(1) 143.0(2)
O(1) Ni(1) C(17) Al(1) -28.6(2)
C(1) Ni(1) C(17) Al(1) -71.0(6)
Ni(1) P(1) C(20) C(21) 43.0(6)
Ni(1) P(1) C(20) C(25) 172.1(4)
C(26) P(1) C(20) C(21) 170.0(4)
C(26) P(1) C(20) C(25) -61.0(5)
C(32) P(1) C(20) C(21) -80.5(5)
C(32) P(1) C(20) C(25) 48.6(5)
Ni(1) P(1) C(26) C(27) 75.0(5)
Ni(1) P(1) C(26) C(31) -50.2(5)
C(20) P(1) C(26) C(27) -50.5(5)
C(20) P(1) C(26) C(31) -175.7(4)
C(32) P(1) C(26) C(27) -163.9(4)
C(32) P(1) C(26) C(31) 70.8(5)
Ni(1) P(1) C(32) C(33) 161.9(4)
Ni(1) P(1) C(32) C(37) -67.6(4)
C(20) P(1) C(32) C(33) -73.6(5)
C(20) P(1) C(32) C(37) 57.0(4)
C(26) P(1) C(32) C(33) 38.0(5)
C(26) P(1) C(32) C(37) 168.6(3)
Ni(1) Al(1) O(1) C(10) -147.7(6)
C(17) Al(1) O(1) Ni(1) -36.1(1)
C(17) Al(1) O(1) C(10) 176.3(5)
C(18) Al(1) O(1) Ni(1) -145.0(1)
C(18) Al(1) O(1) C(10) 67.4(6)
C(19) Al(1) O(1) Ni(1) 82.9(2)
C(19) Al(1) O(1) C(10) -64.8(6)
O(1) Al(1) C(17) Ni(1) 29.9(2)
C(18) Al(1) C(17) Ni(1) 145.0(2)
C(19) Al(1) C(17) Ni(1) -86.3(2)
Ni(1) O(1) C(10) C(2) -14.3(6)
Ni(1) O(1) C(10) C(9) -126.4(4)
Ni(1) O(1) C(10) C(11) 109.6(4)
Al(1) O(1) C(10) C(2) 127.9(5)
Al(1) O(1) C(10) C(9) 15.8(8)
Al(1) O(1) C(10) C(11) -108.2(6)
Ni(1) C(1) C(2) C(3) 86.5(5)
Ni(1) C(1) C(2) C(10) -33.8(7)
C(1) C(2) C(3) C(4) -145.7(5)
C(10) C(2) C(3) C(4) -22.6(7)
C(1) C(2) C(10) O(1) 30.3(7)
C(1) C(2) C(10) C(9) 147.0(6)
C(1) C(2) C(10) C(11) -90.2(7)
C(3) C(2) C(10) O(1) -95.8(6)
C(3) C(2) C(10) C(9) 20.9(7)
C(3) C(2) C(10) C(11) 143.7(5)
C(2) C(3) C(4) C(5) -167.1(9)
C(2) C(3) C(4) C(9) 16.0(9)
C(3) C(4) C(5) C(6) -175.7(9)
C(9) C(4) C(5) C(6) 0(1)
C(3) C(4) C(9) C(8) 175.9(7)
C(3) C(4) C(9) C(10) -2.9(9)
C(5) C(4) C(9) C(8) -1(1)
C(5) C(4) C(9) C(10) 179.9(6)
C(4) C(5) C(6) C(7) 0(1)
C(5) C(6) C(7) C(8) -1(1)
C(6) C(7) C(8) C(9) 0(1)
C(7) C(8) C(9) C(4) 0(1)
C(7) C(8) C(9) C(10) 178.9(8)
C(4) C(9) C(10) O(1) 101.6(6)
C(4) C(9) C(10) C(2) -11.6(8)
C(4) C(9) C(10) C(11) -136.1(6)
C(8) C(9) C(10) O(1) -77.0(9)
C(8) C(9) C(10) C(2) 169.7(8)
C(8) C(9) C(10) C(11) 45(1)
O(1) C(10) C(11) C(12) -178.0(5)
O(1) C(10) C(11) C(16) 5.3(7)
C(2) C(10) C(11) C(12) -59.5(7)
C(2) C(10) C(11) C(16) 123.9(6)
C(9) C(10) C(11) C(12) 58.8(7)
C(9) C(10) C(11) C(16) -117.8(6)
C(10) C(11) C(12) C(13) -179.2(6)
C(16) C(11) C(12) C(13) -2.5(9)
C(10) C(11) C(16) C(15) 177.8(5)
C(12) C(11) C(16) C(15) 1.1(9)
C(11) C(12) C(13) C(14) 2(1)
C(12) C(13) C(14) C(15) 0(1)
C(13) C(14) C(15) C(16) 0(1)
C(14) C(15) C(16) C(11) 0(1)
P(1) C(20) C(21) C(22) -172.8(6)
C(25) C(20) C(21) C(22) 55.1(7)
P(1) C(20) C(25) C(24) 174.7(5)
C(21) C(20) C(25) C(24) -55.2(7)
C(20) C(21) C(22) C(23) -55.2(9)
C(21) C(22) C(23) C(24) 55.7(8)
C(22) C(23) C(24) C(25) -56.2(8)
C(23) C(24) C(25) C(20) 56.1(9)
P(1) C(26) C(27) C(28) 177.9(5)
C(31) C(26) C(27) C(28) -57.3(7)
P(1) C(26) C(31) C(30) -174.5(6)
C(27) C(26) C(31) C(30) 56.3(8)
C(26) C(27) C(28) C(29) 57.7(9)
C(27) C(28) C(29) C(30) -56.4(9)
C(28) C(29) C(30) C(31) 55.1(9)
C(29) C(30) C(31) C(26) -55(1)
P(1) C(32) C(33) C(34) -174.5(5)
C(37) C(32) C(33) C(34) 53.9(6)
P(1) C(32) C(37) C(36) 168.7(5)
C(33) C(32) C(37) C(36) -56.2(6)
C(32) C(33) C(34) C(35) -54.3(8)
C(33) C(34) C(35) C(36) 54.8(7)
C(34) C(35) C(36) C(37) -56.0(7)
C(35) C(36) C(37) C(32) 57.6(8)
