#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:53:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006437.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_7006437
loop_
_publ_author_name
'Punji, Benudhar'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal
 chemistry, Suzuki cross-coupling reactions and homogeneous
 hydrogenation of olefins.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1322
_journal_page_last               1330
_journal_paper_doi               10.1039/b510589g
_journal_year                    2006
_chemical_formula_sum            'C46 H36 Cl4 Ni O2 P2'
_chemical_formula_weight         883.20
_chemical_name_systematic
;
Dichloro(bis(2-diphenylphosphinoxynaphthalen-1-yl)
methane)nickel(II) dichloromethane solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.429(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.008(1)
_cell_length_b                   10.9488(9)
_cell_length_c                   26.287(2)
_cell_measurement_reflns_used    8007
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.33
_cell_volume                     4163.8(5)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker-AXS Smart-APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            36216
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_T_max  0.9414
_exptl_absorpt_correction_T_min  0.7675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.139
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         9967
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0599P)²+0.4329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                7845
_reflns_number_total             9967
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b510589g.txt
_cod_data_source_block           msb175
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4163.7(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7006437
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Ni Ni 0.240544(17) 0.08391(2) 0.273510(10) 0.01786(8) Uani 1 1 d . . .
Cl1 Cl 0.26722(4) 0.13995(5) 0.19888(2) 0.02657(12) Uani 1 1 d . . .
Cl2 Cl 0.17971(4) -0.08747(5) 0.23888(2) 0.02703(12) Uani 1 1 d . . .
P1 P 0.32114(3) 0.24651(4) 0.30104(2) 0.01739(11) Uani 1 1 d . . .
P2 P 0.20382(4) 0.04809(5) 0.34652(2) 0.01853(11) Uani 1 1 d . . .
O1 O 0.34744(9) 0.26001(12) 0.36532(5) 0.0195(3) Uani 1 1 d . . .
O2 O 0.29178(9) 0.02297(12) 0.39659(5) 0.0197(3) Uani 1 1 d . . .
C1 C 0.26052(13) 0.38732(18) 0.27694(8) 0.0202(4) Uani 1 1 d . . .
C2 C 0.21804(14) 0.4511(2) 0.30987(9) 0.0261(5) Uani 1 1 d . . .
H2 H 0.2240 0.4230 0.3448 0.031 Uiso 1 1 calc R . .
C3 C 0.16716(16) 0.5554(2) 0.29192(11) 0.0335(5) Uani 1 1 d . . .
H3 H 0.1386 0.5988 0.3146 0.040 Uiso 1 1 calc R . .
C4 C 0.15781(15) 0.59670(19) 0.24101(11) 0.0337(6) Uani 1 1 d . . .
H4 H 0.1227 0.6681 0.2288 0.040 Uiso 1 1 calc R . .
C5 C 0.19959(16) 0.5340(2) 0.20804(10) 0.0313(5) Uani 1 1 d . . .
H5 H 0.1933 0.5628 0.1732 0.038 Uiso 1 1 calc R . .
C6 C 0.25053(14) 0.42965(19) 0.22539(9) 0.0239(4) Uani 1 1 d . . .
H6 H 0.2787 0.3867 0.2024 0.029 Uiso 1 1 calc R . .
C7 C 0.43419(14) 0.24884(17) 0.28872(8) 0.0189(4) Uani 1 1 d . . .
C8 C 0.48714(14) 0.14330(18) 0.30198(8) 0.0202(4) Uani 1 1 d . . .
H8 H 0.4596 0.0709 0.3107 0.024 Uiso 1 1 calc R . .
C9 C 0.57931(15) 0.14321(19) 0.30256(8) 0.0230(4) Uani 1 1 d . . .
H9 H 0.6152 0.0713 0.3123 0.028 Uiso 1 1 calc R . .
C10 C 0.61985(15) 0.24799(19) 0.28890(8) 0.0236(4) Uani 1 1 d . . .
H10 H 0.6833 0.2478 0.2891 0.028 Uiso 1 1 calc R . .
C11 C 0.56719(15) 0.35281(19) 0.27491(8) 0.0242(4) Uani 1 1 d . . .
H11 H 0.5948 0.4244 0.2655 0.029 Uiso 1 1 calc R . .
C12 C 0.47462(14) 0.35403(18) 0.27460(8) 0.0211(4) Uani 1 1 d . . .
H12 H 0.4389 0.4261 0.2648 0.025 Uiso 1 1 calc R . .
C13 C 0.42493(13) 0.32390(18) 0.39556(8) 0.0187(4) Uani 1 1 d . . .
C14 C 0.44335(14) 0.44268(18) 0.38046(8) 0.0219(4) Uani 1 1 d . . .
H14 H 0.4049 0.4786 0.3494 0.026 Uiso 1 1 calc R . .
C15 C 0.51694(14) 0.50574(19) 0.41074(8) 0.0225(4) Uani 1 1 d . . .
H15 H 0.5313 0.5843 0.3997 0.027 Uiso 1 1 calc R . .
C16 C 0.57189(14) 0.45581(19) 0.45814(8) 0.0205(4) Uani 1 1 d . . .
C17 C 0.64643(15) 0.5234(2) 0.49047(8) 0.0243(4) Uani 1 1 d . . .
H17 H 0.6617 0.6009 0.4789 0.029 Uiso 1 1 calc R . .
C18 C 0.69648(16) 0.4786(2) 0.53786(9) 0.0282(5) Uani 1 1 d . . .
H18 H 0.7469 0.5239 0.5590 0.034 Uiso 1 1 calc R . .
C19 C 0.67277(15) 0.3650(2) 0.55503(8) 0.0261(5) Uani 1 1 d . . .
H19 H 0.7060 0.3354 0.5887 0.031 Uiso 1 1 calc R . .
C20 C 0.60314(15) 0.2961(2) 0.52463(8) 0.0237(4) Uani 1 1 d . . .
H20 H 0.5895 0.2189 0.5373 0.028 Uiso 1 1 calc R . .
C21 C 0.55027(13) 0.33749(18) 0.47420(8) 0.0188(4) Uani 1 1 d . . .
C22 C 0.47622(13) 0.26897(17) 0.44082(8) 0.0173(4) Uani 1 1 d . . .
C23 C 0.44916(14) 0.14304(17) 0.45652(8) 0.0189(4) Uani 1 1 d . . .
H23A H 0.4890 0.1239 0.4921 0.023 Uiso 1 1 calc R . .
H23B H 0.3848 0.1476 0.4593 0.023 Uiso 1 1 calc R . .
C24 C 0.45541(14) 0.03704(18) 0.42021(8) 0.0186(4) Uani 1 1 d . . .
C25 C 0.54212(14) -0.01351(17) 0.41776(7) 0.0185(4) Uani 1 1 d . . .
C26 C 0.62843(14) 0.03534(19) 0.44679(8) 0.0231(4) Uani 1 1 d . . .
H26 H 0.6296 0.1055 0.4682 0.028 Uiso 1 1 calc R . .
C27 C 0.70988(15) -0.0172(2) 0.44434(9) 0.0272(5) Uani 1 1 d . . .
H27 H 0.7667 0.0168 0.4643 0.033 Uiso 1 1 calc R . .
C28 C 0.71086(16) -0.1207(2) 0.41271(9) 0.0301(5) Uani 1 1 d . . .
H28 H 0.7680 -0.1564 0.4116 0.036 Uiso 1 1 calc R . .
C29 C 0.62965(15) -0.1696(2) 0.38377(9) 0.0267(5) Uani 1 1 d . . .
H29 H 0.6307 -0.2389 0.3622 0.032 Uiso 1 1 calc R . .
C30 C 0.54361(15) -0.11837(18) 0.38537(8) 0.0214(4) Uani 1 1 d . . .
C31 C 0.45915(15) -0.16885(18) 0.35558(8) 0.0220(4) Uani 1 1 d . . .
H31 H 0.4599 -0.2372 0.3335 0.026 Uiso 1 1 calc R . .
C32 C 0.37668(15) -0.12093(18) 0.35810(8) 0.0213(4) Uani 1 1 d . . .
H32 H 0.3202 -0.1553 0.3379 0.026 Uiso 1 1 calc R . .
C33 C 0.37648(14) -0.01953(17) 0.39108(8) 0.0182(4) Uani 1 1 d . . .
C34 C 0.12753(14) -0.07905(18) 0.35105(8) 0.0218(4) Uani 1 1 d . . .
C35 C 0.04274(15) -0.0927(2) 0.31356(9) 0.0261(5) Uani 1 1 d . . .
H35 H 0.0260 -0.0388 0.2842 0.031 Uiso 1 1 calc R . .
C36 C -0.01712(15) -0.1853(2) 0.31924(10) 0.0301(5) Uani 1 1 d . . .
H36 H -0.0748 -0.1948 0.2937 0.036 Uiso 1 1 calc R . .
C37 C 0.00689(17) -0.2639(2) 0.36200(11) 0.0361(6) Uani 1 1 d . . .
H37 H -0.0342 -0.3272 0.3657 0.043 Uiso 1 1 calc R . .
C38 C 0.09098(17) -0.2502(2) 0.39944(11) 0.0357(6) Uani 1 1 d . . .
H38 H 0.1075 -0.3041 0.4288 0.043 Uiso 1 1 calc R . .
C39 C 0.15134(16) -0.1571(2) 0.39405(9) 0.0278(5) Uani 1 1 d . . .
H39 H 0.2087 -0.1473 0.4198 0.033 Uiso 1 1 calc R . .
C40 C 0.14893(14) 0.17202(19) 0.37192(9) 0.0233(4) Uani 1 1 d . . .
C41 C 0.07981(16) 0.2390(2) 0.33739(10) 0.0320(5) Uani 1 1 d . . .
H41 H 0.0639 0.2221 0.3006 0.038 Uiso 1 1 calc R . .
C42 C 0.03406(17) 0.3311(2) 0.35704(13) 0.0440(7) Uani 1 1 d . . .
H42 H -0.0132 0.3771 0.3336 0.053 Uiso 1 1 calc R . .
C43 C 0.05716(18) 0.3556(2) 0.41030(13) 0.0478(7) Uani 1 1 d . . .
H43 H 0.0258 0.4185 0.4235 0.057 Uiso 1 1 calc R . .
C44 C 0.12568(19) 0.2891(3) 0.44461(12) 0.0468(7) Uani 1 1 d . . .
H44 H 0.1415 0.3068 0.4813 0.056 Uiso 1 1 calc R . .
C45 C 0.17152(16) 0.1965(2) 0.42566(10) 0.0325(5) Uani 1 1 d . . .
H45 H 0.2181 0.1502 0.4494 0.039 Uiso 1 1 calc R . .
Cl3 Cl 0.14434(5) 1.02668(7) 0.06289(3) 0.05081(19) Uani 1 1 d . . .
C46 C 0.22117(19) 0.9221(2) 0.10295(10) 0.0378(6) Uani 0.50 1 d PD A 1
H46A H 0.2839 0.9581 0.1122 0.045 Uiso 0.50 1 calc PR A 1
H46B H 0.2030 0.9111 0.1362 0.045 Uiso 0.50 1 calc PR A 1
Cl4 Cl 0.2261(2) 0.7809(4) 0.0753(2) 0.0642(7) Uani 0.50 1 d PD A 1
C46A C 0.22117(19) 0.9221(2) 0.10295(10) 0.0378(6) Uani 0.50 1 d PD A 2
H46C H 0.2179 0.9291 0.1400 0.045 Uiso 0.50 1 calc PR A 2
H46D H 0.2853 0.9400 0.1019 0.045 Uiso 0.50 1 calc PR A 2
Cl4A Cl 0.1894(2) 0.7710(4) 0.0788(2) 0.0642(7) Uani 0.50 1 d PD A 2
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'
Cl Cl 0.1484 0.1585 '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'
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
P1 Ni P2 95.96(2) . . ?
P1 Ni Cl2 169.38(2) . . ?
P2 Ni Cl2 92.13(2) . . ?
P1 Ni Cl1 81.38(2) . . ?
P2 Ni Cl1 173.06(2) . . ?
Cl2 Ni Cl1 91.33(2) . . ?
O1 P1 C7 101.74(8) . . ?
O1 P1 C1 104.13(9) . . ?
C7 P1 C1 109.39(9) . . ?
O1 P1 Ni 112.28(5) . . ?
C7 P1 Ni 114.75(7) . . ?
C1 P1 Ni 113.44(7) . . ?
O2 P2 C40 100.39(9) . . ?
O2 P2 C34 101.95(9) . . ?
C40 P2 C34 101.14(9) . . ?
O2 P2 Ni 113.93(5) . . ?
C40 P2 Ni 116.09(7) . . ?
C34 P2 Ni 120.45(7) . . ?
C13 O1 P1 124.34(12) . . ?
C33 O2 P2 122.64(12) . . ?
C2 C1 C6 119.11(19) . . ?
C2 C1 P1 118.61(16) . . ?
C6 C1 P1 122.17(16) . . ?
C3 C2 C1 120.3(2) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 119.9(2) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.5(2) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 120.0(2) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 119.41(19) . . ?
C8 C7 P1 116.30(15) . . ?
C12 C7 P1 123.58(15) . . ?
C9 C8 C7 120.46(19) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.21(19) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 119.61(19) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.59(19) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C7 119.71(19) . . ?
C11 C12 H12 120.1 . . ?
C7 C12 H12 120.1 . . ?
C22 C13 O1 117.42(17) . . ?
C22 C13 C14 122.83(18) . . ?
O1 C13 C14 119.62(17) . . ?
C15 C14 C13 119.47(19) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 120.79(19) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C17 120.66(19) . . ?
C15 C16 C21 119.25(18) . . ?
C17 C16 C21 120.07(19) . . ?
C18 C17 C16 121.0(2) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C17 C18 C19 119.2(2) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 121.6(2) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C19 C20 C21 121.3(2) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C20 C21 C16 116.73(18) . . ?
C20 C21 C22 123.56(18) . . ?
C16 C21 C22 119.67(18) . . ?
C13 C22 C21 117.83(17) . . ?
C13 C22 C23 120.18(17) . . ?
C21 C22 C23 121.81(17) . . ?
C24 C23 C22 117.03(16) . . ?
C24 C23 H23A 108.0 . . ?
C22 C23 H23A 108.0 . . ?
C24 C23 H23B 108.0 . . ?
C22 C23 H23B 108.0 . . ?
H23A C23 H23B 107.3 . . ?
C33 C24 C25 117.37(18) . . ?
C33 C24 C23 120.35(18) . . ?
C25 C24 C23 122.12(18) . . ?
C26 C25 C24 122.69(18) . . ?
C26 C25 C30 117.67(18) . . ?
C24 C25 C30 119.64(18) . . ?
C27 C26 C25 121.0(2) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 121.1(2) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C29 C28 C27 119.8(2) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.9(2) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C31 C30 C29 121.21(19) . . ?
C31 C30 C25 119.28(18) . . ?
C29 C30 C25 119.5(2) . . ?
C32 C31 C30 120.99(19) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C31 C32 C33 118.96(19) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
C24 C33 O2 117.72(17) . . ?
C24 C33 C32 123.71(18) . . ?
O2 C33 C32 118.50(17) . . ?
C39 C34 C35 119.93(19) . . ?
C39 C34 P2 119.55(17) . . ?
C35 C34 P2 120.36(16) . . ?
C36 C35 C34 119.8(2) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C37 C36 C35 120.3(2) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 120.0(2) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 C39 120.0(2) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C34 C39 C38 120.0(2) . . ?
C34 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C45 C40 C41 120.0(2) . . ?
C45 C40 P2 120.66(17) . . ?
C41 C40 P2 119.29(17) . . ?
C40 C41 C42 119.6(2) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
C43 C42 C41 120.2(2) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C42 C43 C44 120.3(2) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C45 120.2(3) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C40 C45 C44 119.7(2) . . ?
C40 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
Cl4 C46 Cl3 115.3(2) . . ?
Cl4 C46 H46A 108.5 . . ?
Cl3 C46 H46A 108.5 . . ?
Cl4 C46 H46B 108.5 . . ?
Cl3 C46 H46B 108.5 . . ?
H46A C46 H46B 107.5 . . ?
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
Ni P1 2.1657(6) . ?
Ni P2 2.1688(6) . ?
Ni Cl2 2.1773(6) . ?
Ni Cl1 2.1916(6) . ?
P1 O1 1.6365(14) . ?
P1 C7 1.810(2) . ?
P1 C1 1.816(2) . ?
P2 O2 1.6205(15) . ?
P2 C40 1.805(2) . ?
P2 C34 1.826(2) . ?
O1 C13 1.408(2) . ?
O2 C33 1.397(2) . ?
C1 C2 1.392(3) . ?
C1 C6 1.402(3) . ?
C2 C3 1.385(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.393(3) . ?
C7 C12 1.397(3) . ?
C8 C9 1.379(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C22 1.372(3) . ?
C13 C14 1.408(3) . ?
C14 C15 1.365(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.409(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.419(3) . ?
C16 C21 1.426(3) . ?
C17 C18 1.363(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.401(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.362(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.426(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.431(3) . ?
C22 C23 1.525(3) . ?
C23 C24 1.521(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C33 1.375(3) . ?
C24 C25 1.431(3) . ?
C25 C26 1.421(3) . ?
C25 C30 1.433(3) . ?
C26 C27 1.368(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.408(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.363(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.419(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.413(3) . ?
C31 C32 1.362(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.409(3) . ?
C32 H32 0.9500 . ?
C34 C39 1.386(3) . ?
C34 C35 1.395(3) . ?
C35 C36 1.389(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.385(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.395(3) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C45 1.388(3) . ?
C40 C41 1.392(3) . ?
C41 C42 1.394(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.376(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.381(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.390(3) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
Cl3 C46 1.761(3) . ?
C46 Cl4 1.719(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
