  
data_ea01604a 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C18 H40 Ni O2 P2' 
_chemical_formula_sum             'C18 H40 Ni O2 P2' 
_chemical_formula_weight          409.15 
  
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' 
 'O'  'O'   0.0106   0.0060 
 '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' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
_symmetry_space_group_name_Hall   '-P 2yn'
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
  
_cell_length_a                    10.1804(7) 
_cell_length_b                    16.4024(11) 
_cell_length_c                    13.0782(9) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  98.6330(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      2159.1(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     100(2) 
_cell_measurement_reflns_used     3491 
_cell_measurement_theta_min       2.37 
_cell_measurement_theta_max       28.29 
  
_exptl_crystal_description        plate 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.39 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.13 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.259 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              888 
_exptl_absorpt_coefficient_mu     1.054 
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.6841 
_exptl_absorpt_correction_T_max   0.8752 
_exptl_absorpt_process_details   
;
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA.
;
_diffrn_ambient_temperature       100(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   
;
 Bruker-Nonius X8kappa APEX II CCD area detector'
; 
_diffrn_measurement_method        'phi and omega scans with narrow frames' 
_diffrn_detector_area_resol_mean   8.26
_diffrn_standards_decay_%         0  
_diffrn_reflns_number             7715 
_diffrn_reflns_av_R_equivalents   0.0202 
_diffrn_reflns_av_sigmaI/netI     0.0322 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -4 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -16 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          2.94 
_diffrn_reflns_theta_max          28.70 
_reflns_number_total              5438 
_reflns_number_gt                 3332 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker (2006). APEX 2. Version 2.1.'
_computing_cell_refinement        'Bruker (2006). APEX 2. Version 2.1.'
_computing_data_reduction         'Bruker (2006). APEX 2. Version 2.1.'
_computing_structure_solution     'Bruker (2006). APEX 2. Version 2.1.'
_computing_structure_refinement   'XL, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_molecular_graphics     'XP, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_publication_material   'XCIF, SHELXTL v. 6.14 (Bruker, 2003)'  
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0389P)²+0.2377P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5438 
_refine_ls_number_parameters      245 
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0401 
_refine_ls_R_factor_gt            0.0276 
_refine_ls_wR_factor_ref          0.0702 
_refine_ls_wR_factor_gt           0.0659 
_refine_ls_goodness_of_fit_ref    1.026 
_refine_ls_restrained_S_all       1.014 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
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 0.82219(2) 0.293585(12) 0.52791(2) 0.01666(8) Uani 1 1 d . . . 
P1 P 0.96285(4) 0.30436(2) 0.41964(4) 0.01624(11) Uani 1 1 d . A . 
P2 P 0.74901(4) 0.18226(2) 0.44917(4) 0.01612(12) Uani 1 1 d . A . 
O1A O 0.7030(2) 0.39522(15) 0.7545(2) 0.0262(6) Uani 0.642(3) 1 d PU A 1 
O2A O 0.55853(19) 0.39712(12) 0.60665(18) 0.0264(6) Uani 0.642(3) 1 d PU A 1 
C1A C 0.8863(2) 0.39845(11) 0.59376(19) 0.0311(5) Uani 0.642(3) 1 d PU A 1 
H1A1 H 0.8146 0.4389 0.5829 0.047 Uiso 0.642(3) 1 d PR A 1 
H1A2 H 0.9622 0.4181 0.5627 0.047 Uiso 0.642(3) 1 d PR A 1 
H1A3 H 0.9136 0.3901 0.6681 0.047 Uiso 0.642(3) 1 d PR A 1 
C2A C 0.6966(2) 0.28044(11) 0.63113(18) 0.0287(5) Uani 0.642(3) 1 d PU A 1 
H2A1 H 0.6152 0.2524 0.5977 0.034 Uiso 0.642(3) 1 d PR A 1 
H2A2 H 0.7386 0.2458 0.6889 0.034 Uiso 0.642(3) 1 d PR A 1 
C3A C 0.6587(3) 0.36218(16) 0.6738(3) 0.0212(7) Uani 0.642(3) 1 d PU A 1 
C4A C 0.5141(3) 0.4751(2) 0.6392(3) 0.0341(9) Uani 0.642(3) 1 d PU A 1 
H4A1 H 0.4798 0.4687 0.7049 0.051 Uiso 0.642(3) 1 d PR A 1 
H4A2 H 0.4436 0.4961 0.5865 0.051 Uiso 0.642(3) 1 d PR A 1 
H4A3 H 0.5888 0.5134 0.6484 0.051 Uiso 0.642(3) 1 d PR A 1 
O1B O 0.7515(5) 0.4307(3) 0.7438(4) 0.0358(12) Uani 0.358(3) 1 d PU A 2 
O2B O 0.6860(5) 0.4817(2) 0.5846(4) 0.0429(13) Uani 0.358(3) 1 d PU A 2 
C1B C 0.6966(2) 0.28044(11) 0.63113(18) 0.0287(5) Uani 0.358(3) 1 d PU A 2 
H1B1 H 0.7430 0.2543 0.6938 0.043 Uiso 0.358(3) 1 d PR A 2 
H1B2 H 0.6213 0.2464 0.6014 0.043 Uiso 0.358(3) 1 d PR A 2 
H1B3 H 0.6640 0.3341 0.6488 0.043 Uiso 0.358(3) 1 d PR A 2 
C2B C 0.8863(2) 0.39845(11) 0.59376(19) 0.0311(5) Uani 0.358(3) 1 d PU A 2 
H2B1 H 0.9680 0.3893 0.6439 0.037 Uiso 0.358(3) 1 d PR A 2 
H2B2 H 0.9071 0.4373 0.5406 0.037 Uiso 0.358(3) 1 d PR A 2 
C3B C 0.7682(6) 0.4357(3) 0.6537(5) 0.0287(13) Uani 0.358(3) 1 d PU A 2 
C4B C 0.5826(8) 0.5242(5) 0.6271(7) 0.064(3) Uani 0.358(3) 1 d PU A 2 
H4B1 H 0.5282 0.4848 0.6585 0.096 Uiso 0.358(3) 1 d PR A 2 
H4B2 H 0.5266 0.5539 0.5720 0.096 Uiso 0.358(3) 1 d PR A 2 
H4B3 H 0.6229 0.5627 0.6800 0.096 Uiso 0.358(3) 1 d PR A 2 
C5 C 0.92453(18) 0.22873(10) 0.31457(16) 0.0197(4) Uani 1 1 d . . . 
H5A H 0.8649 0.2536 0.2561 0.024 Uiso 1 1 d R A . 
H5B H 1.0076 0.2122 0.2894 0.024 Uiso 1 1 d R . . 
C6 C 0.85689(17) 0.15296(9) 0.35354(15) 0.0188(4) Uani 1 1 d . A . 
H6A H 0.9257 0.1143 0.3857 0.023 Uiso 1 1 d R . . 
H6B H 0.8031 0.1252 0.2943 0.023 Uiso 1 1 d R . . 
C7 C 0.96628(18) 0.40272(10) 0.35082(16) 0.0230(4) Uani 1 1 d . . . 
H7 H 1.0105 0.4429 0.4024 0.028 Uiso 1 1 d R A . 
C8 C 0.8255(2) 0.43427(11) 0.31572(18) 0.0295(5) Uani 1 1 d . A . 
H8A H 0.8297 0.4898 0.2889 0.044 Uiso 1 1 d R . . 
H8B H 0.7762 0.4345 0.3746 0.044 Uiso 1 1 d R . . 
H8C H 0.7803 0.3987 0.2612 0.044 Uiso 1 1 d R . . 
C9 C 1.0468(2) 0.40161(12) 0.26114(18) 0.0332(5) Uani 1 1 d . A . 
H9A H 1.0047 0.3647 0.2071 0.050 Uiso 1 1 d R . . 
H9B H 1.1373 0.3827 0.2861 0.050 Uiso 1 1 d R . . 
H9C H 1.0502 0.4567 0.2327 0.050 Uiso 1 1 d R . . 
C10 C 1.14047(17) 0.28389(10) 0.46771(17) 0.0218(4) Uani 1 1 d . . . 
H10 H 1.1894 0.2848 0.4069 0.026 Uiso 1 1 d R A . 
C11 C 1.2041(2) 0.34790(12) 0.54530(19) 0.0337(6) Uani 1 1 d . A . 
H11A H 1.1579 0.3483 0.6059 0.051 Uiso 1 1 d R . . 
H11B H 1.1972 0.4018 0.5127 0.051 Uiso 1 1 d R . . 
H11C H 1.2979 0.3344 0.5670 0.051 Uiso 1 1 d R . . 
C12 C 1.15680(18) 0.19865(10) 0.51593(18) 0.0260(5) Uani 1 1 d . A . 
H12A H 1.2487 0.1914 0.5496 0.039 Uiso 1 1 d R . . 
H12B H 1.1355 0.1574 0.4617 0.039 Uiso 1 1 d R . . 
H12C H 1.0966 0.1926 0.5673 0.039 Uiso 1 1 d R . . 
C13 C 0.58308(18) 0.18725(10) 0.36932(17) 0.0228(4) Uani 1 1 d . . . 
H13 H 0.5735 0.1376 0.3244 0.027 Uiso 1 1 d R A . 
C14 C 0.57247(19) 0.26131(12) 0.29775(19) 0.0323(5) Uani 1 1 d . A . 
H14A H 0.4860 0.2609 0.2533 0.048 Uiso 1 1 d R . . 
H14B H 0.6434 0.2592 0.2548 0.048 Uiso 1 1 d R . . 
H14C H 0.5812 0.3113 0.3393 0.048 Uiso 1 1 d R . . 
C15 C 0.46706(19) 0.18745(13) 0.43082(19) 0.0334(5) Uani 1 1 d . A . 
H15A H 0.4657 0.2392 0.4680 0.050 Uiso 1 1 d R . . 
H15B H 0.4774 0.1423 0.4805 0.050 Uiso 1 1 d R . . 
H15C H 0.3836 0.1809 0.3834 0.050 Uiso 1 1 d R . . 
C16 C 0.74158(18) 0.08920(10) 0.52832(16) 0.0223(4) Uani 1 1 d . . . 
H16 H 0.6744 0.0999 0.5752 0.027 Uiso 1 1 d R A . 
C17 C 0.8729(2) 0.07360(11) 0.59727(18) 0.0307(5) Uani 1 1 d . A . 
H17A H 0.8637 0.0268 0.6423 0.046 Uiso 1 1 d R . . 
H17B H 0.8982 0.1219 0.6397 0.046 Uiso 1 1 d R . . 
H17C H 0.9417 0.0620 0.5543 0.046 Uiso 1 1 d R . . 
C18 C 0.6952(2) 0.01289(11) 0.46554(18) 0.0343(6) Uani 1 1 d . A . 
H18A H 0.7574 0.0009 0.4172 0.051 Uiso 1 1 d R . . 
H18B H 0.6064 0.0224 0.4268 0.051 Uiso 1 1 d R . . 
H18C H 0.6921 -0.0334 0.5125 0.051 Uiso 1 1 d R . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
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 C1A 1.9894(18) . ? 
Ni1 C2A 2.0056(19) . ? 
Ni1 P1 2.1669(5) . ? 
Ni1 P2 2.1724(5) . ? 
P1 C5 1.8489(19) . ? 
P1 C7 1.8503(17) . ? 
P1 C10 1.8537(19) . ? 
P2 C6 1.8476(17) . ? 
P2 C13 1.850(2) . ? 
P2 C16 1.8522(18) . ? 
O1A C3A 1.212(4) . ? 
O2A C3A 1.368(4) . ? 
O2A C4A 1.442(3) . ? 
C1A H1A1 0.9800 . ? 
C1A H1A2 0.9800 . ? 
C1A H1A3 0.9800 . ? 
C1A H2B1 0.9904 . ? 
C1A H2B2 0.9898 . ? 
C2A C3A 1.524(3) . ? 
C2A H2A1 0.9900 . ? 
C2A H2A2 0.9900 . ? 
C4A H4A1 0.9800 . ? 
C4A H4A2 0.9800 . ? 
C4A H4A3 0.9800 . ? 
O1B C3B 1.218(8) . ? 
O2B C3B 1.363(7) . ? 
O2B C4B 1.442(8) . ? 
C4B H4B1 0.9800 . ? 
C4B H4B2 0.9800 . ? 
C4B H4B3 0.9800 . ? 
C5 C6 1.544(2) . ? 
C5 H5A 0.9900 . ? 
C5 H5B 0.9900 . ? 
C6 H6A 0.9900 . ? 
C6 H6B 0.9900 . ? 
C7 C8 1.528(3) . ? 
C7 C9 1.529(3) . ? 
C7 H7 1.0000 . ? 
C8 H8A 0.9800 . ? 
C8 H8B 0.9800 . ? 
C8 H8C 0.9800 . ? 
C9 H9A 0.9800 . ? 
C9 H9B 0.9800 . ? 
C9 H9C 0.9800 . ? 
C10 C12 1.533(2) . ? 
C10 C11 1.534(3) . ? 
C10 H10 1.0000 . ? 
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 C15 1.525(3) . ? 
C13 C14 1.527(3) . ? 
C13 H13 1.0000 . ? 
C14 H14A 0.9800 . ? 
C14 H14B 0.9800 . ? 
C14 H14C 0.9800 . ? 
C15 H15A 0.9800 . ? 
C15 H15B 0.9800 . ? 
C15 H15C 0.9800 . ? 
C16 C17 1.518(3) . ? 
C16 C18 1.532(3) . ? 
C16 H16 1.0000 . ? 
C17 H17A 0.9800 . ? 
C17 H17B 0.9800 . ? 
C17 H17C 0.9800 . ? 
C18 H18A 0.9800 . ? 
C18 H18B 0.9800 . ? 
C18 H18C 0.9800 . ? 
  
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 
C1A Ni1 C2A 90.14(9) . . ? 
C1A Ni1 P1 90.36(7) . . ? 
C2A Ni1 P1 177.81(6) . . ? 
C1A Ni1 P2 177.25(7) . . ? 
C2A Ni1 P2 91.19(6) . . ? 
P1 Ni1 P2 88.400(18) . . ? 
C5 P1 C7 103.93(9) . . ? 
C5 P1 C10 102.52(8) . . ? 
C7 P1 C10 103.55(8) . . ? 
C5 P1 Ni1 110.15(6) . . ? 
C7 P1 Ni1 116.84(6) . . ? 
C10 P1 Ni1 118.06(7) . . ? 
C6 P2 C13 102.40(9) . . ? 
C6 P2 C16 104.02(8) . . ? 
C13 P2 C16 103.98(8) . . ? 
C6 P2 Ni1 110.07(6) . . ? 
C13 P2 Ni1 116.71(6) . . ? 
C16 P2 Ni1 117.88(7) . . ? 
C3A O2A C4A 114.7(3) . . ? 
Ni1 C1A H1A1 109.5 . . ? 
Ni1 C1A H1A2 109.5 . . ? 
H1A1 C1A H1A2 109.5 . . ? 
Ni1 C1A H1A3 109.5 . . ? 
H1A1 C1A H1A3 109.5 . . ? 
H1A2 C1A H1A3 109.5 . . ? 
Ni1 C1A H2B1 110.1 . . ? 
H1A1 C1A H2B1 137.0 . . ? 
H1A2 C1A H2B1 71.8 . . ? 
Ni1 C1A H2B2 110.1 . . ? 
H1A1 C1A H2B2 72.3 . . ? 
H1A3 C1A H2B2 136.8 . . ? 
H2B1 C1A H2B2 108.4 . . ? 
C3A C2A Ni1 111.96(14) . . ? 
C3A C2A H2A1 109.2 . . ? 
Ni1 C2A H2A1 109.2 . . ? 
C3A C2A H2A2 109.3 . . ? 
Ni1 C2A H2A2 109.2 . . ? 
H2A1 C2A H2A2 107.9 . . ? 
C3A C2A H1B1 101.2 . . ? 
Ni1 C2A H1B1 109.5 . . ? 
H2A1 C2A H1B1 115.6 . . ? 
C3A C2A H1B2 114.9 . . ? 
Ni1 C2A H1B2 109.5 . . ? 
H2A2 C2A H1B2 101.4 . . ? 
H1B1 C2A H1B2 109.4 . . ? 
Ni1 C2A H1B3 109.5 . . ? 
H2A1 C2A H1B3 103.3 . . ? 
H2A2 C2A H1B3 117.3 . . ? 
H1B1 C2A H1B3 109.4 . . ? 
H1B2 C2A H1B3 109.5 . . ? 
O1A C3A O2A 121.1(3) . . ? 
O1A C3A C2A 129.1(3) . . ? 
O2A C3A C2A 109.8(3) . . ? 
O1A C3A H1B3 143.4 . . ? 
O2A C3A H1B3 95.5 . . ? 
O2A C4A H4A1 109.5 . . ? 
O2A C4A H4A2 109.5 . . ? 
H4A1 C4A H4A2 109.5 . . ? 
O2A C4A H4A3 109.5 . . ? 
H4A1 C4A H4A3 109.5 . . ? 
H4A2 C4A H4A3 109.5 . . ? 
O2A C4A H4B1 124.1 . . ? 
H4A1 C4A H4B1 62.0 . . ? 
H4A2 C4A H4B1 125.7 . . ? 
H4A3 C4A H4B1 47.5 . . ? 
O2A C4A H4B2 120.5 . . ? 
H4A1 C4A H4B2 130.1 . . ? 
H4A2 C4A H4B2 55.4 . . ? 
H4A3 C4A H4B2 54.3 . . ? 
H4B1 C4A H4B2 88.1 . . ? 
C3B O2B C4B 115.0(6) . . ? 
O1B C3B O2B 121.2(5) . . ? 
O1B C3B H1A1 162.9 . . ? 
O2B C3B H1A1 73.4 . . ? 
O2B C4B H4A2 114.7 . . ? 
O2B C4B H4A3 90.5 . . ? 
H4A2 C4B H4A3 100.8 . . ? 
O2B C4B H4B1 109.5 . . ? 
H4A2 C4B H4B1 52.1 . . ? 
H4A3 C4B H4B1 48.7 . . ? 
O2B C4B H4B2 109.6 . . ? 
H4A2 C4B H4B2 58.7 . . ? 
H4A3 C4B H4B2 155.6 . . ? 
H4B1 C4B H4B2 109.5 . . ? 
O2B C4B H4B3 109.4 . . ? 
H4A2 C4B H4B3 135.8 . . ? 
H4A3 C4B H4B3 74.9 . . ? 
H4B1 C4B H4B3 109.5 . . ? 
H4B2 C4B H4B3 109.5 . . ? 
C6 C5 P1 110.47(13) . . ? 
C6 C5 H5A 109.5 . . ? 
P1 C5 H5A 109.6 . . ? 
C6 C5 H5B 109.6 . . ? 
P1 C5 H5B 109.6 . . ? 
H5A C5 H5B 108.1 . . ? 
C5 C6 P2 110.73(11) . . ? 
C5 C6 H6A 109.5 . . ? 
P2 C6 H6A 109.5 . . ? 
C5 C6 H6B 109.5 . . ? 
P2 C6 H6B 109.5 . . ? 
H6A C6 H6B 108.1 . . ? 
C8 C7 C9 111.14(18) . . ? 
C8 C7 P1 110.86(12) . . ? 
C9 C7 P1 114.47(12) . . ? 
C8 C7 H7 106.6 . . ? 
C9 C7 H7 106.6 . . ? 
P1 C7 H7 106.6 . . ? 
C7 C8 H8A 109.5 . . ? 
C7 C8 H8B 109.5 . . ? 
H8A C8 H8B 109.5 . . ? 
C7 C8 H8C 109.5 . . ? 
H8A C8 H8C 109.5 . . ? 
H8B C8 H8C 109.5 . . ? 
C7 C9 H9A 109.5 . . ? 
C7 C9 H9B 109.5 . . ? 
H9A C9 H9B 109.5 . . ? 
C7 C9 H9C 109.5 . . ? 
H9A C9 H9C 109.5 . . ? 
H9B C9 H9C 109.5 . . ? 
C12 C10 C11 110.07(18) . . ? 
C12 C10 P1 110.17(12) . . ? 
C11 C10 P1 113.20(12) . . ? 
C12 C10 H10 107.7 . . ? 
C11 C10 H10 107.7 . . ? 
P1 C10 H10 107.7 . . ? 
C10 C11 H11A 109.5 . . ? 
C10 C11 H11B 109.5 . . ? 
H11A C11 H11B 109.5 . . ? 
C10 C11 H11C 109.4 . . ? 
H11A C11 H11C 109.5 . . ? 
H11B C11 H11C 109.5 . . ? 
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 . . ? 
C15 C13 C14 109.40(16) . . ? 
C15 C13 P2 114.60(15) . . ? 
C14 C13 P2 110.84(13) . . ? 
C15 C13 H13 107.2 . . ? 
C14 C13 H13 107.2 . . ? 
P2 C13 H13 107.2 . . ? 
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 . . ? 
C13 C15 H15A 109.5 . . ? 
C13 C15 H15B 109.5 . . ? 
H15A C15 H15B 109.5 . . ? 
C13 C15 H15C 109.4 . . ? 
H15A C15 H15C 109.5 . . ? 
H15B C15 H15C 109.5 . . ? 
C17 C16 C18 110.71(15) . . ? 
C17 C16 P2 111.39(12) . . ? 
C18 C16 P2 114.14(16) . . ? 
C17 C16 H16 106.7 . . ? 
C18 C16 H16 106.7 . . ? 
P2 C16 H16 106.7 . . ? 
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 . . ? 
C16 C18 H18A 109.5 . . ? 
C16 C18 H18B 109.5 . . ? 
H18A C18 H18B 109.5 . . ? 
C16 C18 H18C 109.5 . . ? 
H18A C18 H18C 109.5 . . ? 
H18B C18 H18C 109.5 . . ? 
  
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 
C1A Ni1 P1 C5 -168.11(9) . . . . ?  
P2 Ni1 P1 C5 9.43(7) . . . . ? 
C1A Ni1 P1 C7 -49.87(10) . . . . ? 
P2 Ni1 P1 C7 127.67(8) . . . . ? 
C1A Ni1 P1 C10 74.68(9) . . . . ? 
P2 Ni1 P1 C10 -107.77(6) . . . . ? 
C2A Ni1 P2 C6 -169.85(9) . . . . ? 
P1 Ni1 P2 C6 8.00(7) . . . . ?  
C2A Ni1 P2 C13 74.07(10) . . . . ? 
P1 Ni1 P2 C13 -108.09(7) . . . . ? 
C2A Ni1 P2 C16 -50.83(9) . . . . ? 
P1 Ni1 P2 C16 127.01(7) . . . . ? 
C1A Ni1 C2A C3A 25.7(2) . . . . ? 
P2 Ni1 C2A C3A -151.87(18) . . . . ? 
C4A O2A C3A O1A 1.1(4) . . . . ? 
C4A O2A C3A C2A 179.9(2) . . . . ? 
Ni1 C2A C3A O1A -98.9(3) . . . . ? 
Ni1 C2A C3A O2A 82.4(2) . . . . ? 
C4B O2B C3B O1B 1.5(8) . . . . ? 
C7 P1 C5 C6 -154.41(12) . . . . ? 
C10 P1 C5 C6 97.99(13) . . . . ? 
Ni1 P1 C5 C6 -28.49(14) . . . . ? 
P1 C5 C6 P2 34.65(17) . . . . ? 
C13 P2 C6 C5 97.35(14) . . . . ? 
C16 P2 C6 C5 -154.60(14) . . . . ? 
Ni1 P2 C6 C5 -27.42(15) . . . . ? 
C5 P1 C7 C8 79.48(15) . . . . ? 
C10 P1 C7 C8 -173.69(15) . . . . ? 
Ni1 P1 C7 C8 -42.07(17) . . . . ? 
C5 P1 C7 C9 -47.20(17) . . . . ? 
C10 P1 C7 C9 59.63(17) . . . . ? 
Ni1 P1 C7 C9 -168.76(13) . . . . ? 
C5 P1 C10 C12 -65.27(16) . . . . ? 
C7 P1 C10 C12 -173.16(14) . . . . ? 
Ni1 P1 C10 C12 55.94(15) . . . . ? 
C5 P1 C10 C11 171.00(15) . . . . ? 
C7 P1 C10 C11 63.11(17) . . . . ? 
Ni1 P1 C10 C11 -67.78(15) . . . . ? 
C6 P2 C13 C15 164.09(13) . . . . ? 
C16 P2 C13 C15 56.01(15) . . . . ? 
Ni1 P2 C13 C15 -75.65(14) . . . . ? 
C6 P2 C13 C14 -71.49(16) . . . . ? 
C16 P2 C13 C14 -179.57(15) . . . . ? 
Ni1 P2 C13 C14 48.77(16) . . . . ? 
C6 P2 C16 C17 71.27(16) . . . . ? 
C13 P2 C16 C17 178.14(14) . . . . ? 
Ni1 P2 C16 C17 -50.88(15) . . . . ? 
C6 P2 C16 C18 -55.01(16) . . . . ? 
C13 P2 C16 C18 51.86(16) . . . . ? 
Ni1 P2 C16 C18 -177.17(11) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.983 
_diffrn_reflns_theta_full              28.70 
_diffrn_measured_fraction_theta_full   0.983 
_refine_diff_density_max    0.415 
_refine_diff_density_min   -0.309 
_refine_diff_density_rms    0.055 
