#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:56:43 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179085 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/47/4304723.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_4304723
loop_
_publ_author_name
'Olena V. Zenkina'
'Amir Karton'
'Dalia Freeman'
'Linda J. W. Shimon'
'Jan M. L. Martin'
'Milko E. van der Boom'
_publ_section_title
;
Directing Aryl-I versus Aryl-Br Bond Activation by Nickel via a Ring
Walking Process
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5114
_journal_page_last               5121
_journal_paper_doi               10.1021/ic702289n
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C25 H40 Br N Ni P2'
_chemical_formula_sum            'C25 H40 Br N Ni P2'
_chemical_formula_weight         555.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.112(3)
_cell_length_b                   14.717(3)
_cell_length_c                   11.515(2)
_cell_measurement_reflns_used    2724
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.55
_cell_volume                     2730.4(9)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package (Bruker Nonius)'
_computing_data_reduction        HKL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.098
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16170
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    2.303
_exptl_absorpt_correction_T_max  0.8935
_exptl_absorpt_correction_T_min  0.8935
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.767
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.44(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         2622
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0457
_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)+(0.0169P)²+11.0644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                2233
_reflns_number_total             2622
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702289n-file004.cif
_cod_data_source_block           v14a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_database_code               4304723
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, 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
Br1 Br 0.10136(6) 0.04435(6) 0.75572(11) 0.0377(2) Uani 1 1 d . . .
Ni1 Ni 0.13601(6) 0.04784(6) 0.55614(8) 0.0229(2) Uani 1 1 d . . .
P2 P 0.08002(14) 0.18427(13) 0.5397(3) 0.0332(5) Uani 1 1 d . . .
P3 P 0.17317(12) -0.09718(12) 0.5442(3) 0.0258(4) Uani 1 1 d . . .
C1 C 0.1782(4) 0.0587(5) 0.4038(7) 0.0202(16) Uani 1 1 d . . .
C2 C 0.1347(6) 0.0358(5) 0.3021(8) 0.0310(19) Uani 1 1 d . . .
H2 H 0.0787 0.0161 0.3084 0.037 Uiso 1 1 calc R . .
C3 C 0.1706(6) 0.0410(6) 0.1926(8) 0.034(2) Uani 1 1 d . . .
H3 H 0.1389 0.0257 0.1258 0.041 Uiso 1 1 calc R . .
C4 C 0.2524(6) 0.0685(5) 0.1804(7) 0.031(2) Uani 1 1 d . . .
C5 C 0.2965(5) 0.0968(5) 0.2787(7) 0.0291(19) Uani 1 1 d . . .
H5 H 0.3514 0.1197 0.2710 0.035 Uiso 1 1 calc R . .
C6 C 0.2593(5) 0.0912(5) 0.3886(7) 0.0276(19) Uani 1 1 d . . .
H6 H 0.2899 0.1100 0.4548 0.033 Uiso 1 1 calc R . .
C7 C 0.2882(5) 0.0685(5) 0.0616(8) 0.0312(18) Uani 1 1 d . . .
H7 H 0.404(6) 0.080(7) 0.108(8) 0.05(3) Uiso 1 1 d . . .
C8 C 0.3675(5) 0.0771(5) 0.0362(8) 0.032(2) Uani 1 1 d . . .
H8 H 0.255(5) 0.055(5) -0.015(7) 0.03(2) Uiso 1 1 d . . .
C9 C 0.4019(6) 0.0730(5) -0.0847(7) 0.0307(19) Uani 1 1 d . . .
C10 C 0.3549(6) 0.0745(6) -0.1837(8) 0.034(2) Uani 1 1 d . . .
H10 H 0.2965 0.0825 -0.1792 0.041 Uiso 1 1 calc R . .
C11 C 0.3935(6) 0.0643(7) -0.2912(9) 0.044(2) Uani 1 1 d . . .
H11 H 0.3595 0.0633 -0.3586 0.053 Uiso 1 1 calc R . .
N12 N 0.4767(5) 0.0557(5) -0.3057(7) 0.041(2) Uani 1 1 d . . .
C13 C 0.5196(6) 0.0566(6) -0.2090(9) 0.040(2) Uani 1 1 d . . .
H13 H 0.5782 0.0514 -0.2157 0.048 Uiso 1 1 calc R . .
C14 C 0.4873(5) 0.0645(5) -0.0982(8) 0.0306(19) Uani 1 1 d . . .
H14 H 0.5228 0.0641 -0.0324 0.037 Uiso 1 1 calc R . .
C21 C 0.2728(6) -0.1220(6) 0.4724(10) 0.042(2) Uani 1 1 d . . .
H21A H 0.2698 -0.0991 0.3917 0.050 Uiso 1 1 calc R . .
H21B H 0.3168 -0.0871 0.5126 0.050 Uiso 1 1 calc R . .
C22 C 0.2993(7) -0.2217(7) 0.4685(12) 0.067(4) Uani 1 1 d . . .
H22A H 0.3147 -0.2418 0.5467 0.100 Uiso 1 1 calc R . .
H22B H 0.3471 -0.2283 0.4165 0.100 Uiso 1 1 calc R . .
H22C H 0.2532 -0.2588 0.4397 0.100 Uiso 1 1 calc R . .
C23 C 0.1756(6) -0.1664(6) 0.6754(9) 0.041(2) Uani 1 1 d . . .
H23A H 0.1228 -0.1580 0.7179 0.050 Uiso 1 1 calc R . .
H23B H 0.1794 -0.2312 0.6528 0.050 Uiso 1 1 calc R . .
C24 C 0.2479(6) -0.1440(7) 0.7573(11) 0.056(3) Uani 1 1 d . . .
H24A H 0.3001 -0.1646 0.7225 0.084 Uiso 1 1 calc R . .
H24B H 0.2395 -0.1748 0.8318 0.084 Uiso 1 1 calc R . .
H24C H 0.2503 -0.0782 0.7699 0.084 Uiso 1 1 calc R . .
C25 C 0.0984(6) -0.1605(6) 0.4582(9) 0.042(2) Uani 1 1 d . . .
H25A H 0.0976 -0.1358 0.3781 0.050 Uiso 1 1 calc R . .
H25B H 0.1159 -0.2248 0.4539 0.050 Uiso 1 1 calc R . .
C26 C 0.0097(6) -0.1553(8) 0.5102(11) 0.064(3) Uani 1 1 d . . .
H26A H 0.0119 -0.1697 0.5932 0.096 Uiso 1 1 calc R . .
H26B H -0.0263 -0.1990 0.4705 0.096 Uiso 1 1 calc R . .
H26C H -0.0124 -0.0938 0.4997 0.096 Uiso 1 1 calc R . .
C31 C -0.0324(7) 0.1840(7) 0.5846(8) 0.055(3) Uani 1 1 d . . .
H31A H -0.0378 0.1524 0.6601 0.067 Uiso 1 1 calc R . .
H31B H -0.0512 0.2475 0.5954 0.067 Uiso 1 1 calc R . .
C32 C -0.0880(7) 0.1377(8) 0.4960(11) 0.063(3) Uani 1 1 d . . .
H32A H -0.0906 0.1747 0.4254 0.094 Uiso 1 1 calc R . .
H32B H -0.1439 0.1307 0.5284 0.094 Uiso 1 1 calc R . .
H32C H -0.0653 0.0777 0.4771 0.094 Uiso 1 1 calc R . .
C33 C 0.1236(9) 0.2669(8) 0.6360(13) 0.075(4) Uani 1 1 d . . .
H33A H 0.0976 0.3265 0.6195 0.090 Uiso 1 1 calc R . .
H33B H 0.1088 0.2500 0.7167 0.090 Uiso 1 1 calc R . .
C34 C 0.2136(8) 0.2771(8) 0.6288(15) 0.089(5) Uani 1 1 d . . .
H34A H 0.2404 0.2218 0.6579 0.133 Uiso 1 1 calc R . .
H34B H 0.2310 0.3292 0.6759 0.133 Uiso 1 1 calc R . .
H34C H 0.2297 0.2871 0.5478 0.133 Uiso 1 1 calc R . .
C35 C 0.0715(6) 0.2327(6) 0.3942(9) 0.044(2) Uani 1 1 d . . .
H35A H 0.1279 0.2365 0.3602 0.052 Uiso 1 1 calc R . .
H35B H 0.0388 0.1904 0.3454 0.052 Uiso 1 1 calc R . .
C36 C 0.0311(8) 0.3277(7) 0.3873(11) 0.066(4) Uani 1 1 d . . .
H36A H -0.0276 0.3233 0.4087 0.099 Uiso 1 1 calc R . .
H36B H 0.0359 0.3512 0.3079 0.099 Uiso 1 1 calc R . .
H36C H 0.0595 0.3691 0.4410 0.099 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
N N 0.0061 0.0033 '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'
Br Br -0.2901 2.4595 '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
C1 Ni1 P2 89.5(2) . . ?
C1 Ni1 P3 85.8(2) . . ?
P2 Ni1 P3 167.99(11) . . ?
C1 Ni1 Br1 171.7(2) . . ?
P2 Ni1 Br1 90.37(9) . . ?
P3 Ni1 Br1 95.91(8) . . ?
C33 P2 C35 109.5(6) . . ?
C33 P2 C31 102.0(6) . . ?
C35 P2 C31 100.4(4) . . ?
C33 P2 Ni1 113.9(4) . . ?
C35 P2 Ni1 117.6(3) . . ?
C31 P2 Ni1 111.5(3) . . ?
C25 P3 C23 100.4(4) . . ?
C25 P3 C21 103.4(5) . . ?
C23 P3 C21 104.0(5) . . ?
C25 P3 Ni1 110.4(3) . . ?
C23 P3 Ni1 119.4(3) . . ?
C21 P3 Ni1 116.9(3) . . ?
C6 C1 C2 116.3(7) . . ?
C6 C1 Ni1 118.7(6) . . ?
C2 C1 Ni1 125.1(6) . . ?
C3 C2 C1 122.3(8) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C4 C3 C2 120.3(8) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 119.2(8) . . ?
C3 C4 C7 117.6(8) . . ?
C5 C4 C7 123.2(8) . . ?
C4 C5 C6 119.6(8) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 122.1(8) . . ?
C1 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
C8 C7 C4 125.6(9) . . ?
C8 C7 H8 109(5) . . ?
C4 C7 H8 125(5) . . ?
C7 C8 C9 124.1(8) . . ?
C7 C8 H7 113(5) . . ?
C9 C8 H7 123(5) . . ?
C10 C9 C14 117.1(8) . . ?
C10 C9 C8 124.6(8) . . ?
C14 C9 C8 118.2(8) . . ?
C9 C10 C11 119.4(8) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
N12 C11 C10 124.1(8) . . ?
N12 C11 H11 118.0 . . ?
C10 C11 H11 118.0 . . ?
C13 N12 C11 114.6(8) . . ?
N12 C13 C14 125.8(9) . . ?
N12 C13 H13 117.1 . . ?
C14 C13 H13 117.1 . . ?
C13 C14 C9 118.9(8) . . ?
C13 C14 H14 120.5 . . ?
C9 C14 H14 120.5 . . ?
C22 C21 P3 116.6(7) . . ?
C22 C21 H21A 108.2 . . ?
P3 C21 H21A 108.2 . . ?
C22 C21 H21B 108.2 . . ?
P3 C21 H21B 108.2 . . ?
H21A C21 H21B 107.3 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P3 113.9(7) . . ?
C24 C23 H23A 108.8 . . ?
P3 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
P3 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P3 112.0(7) . . ?
C26 C25 H25A 109.2 . . ?
P3 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
P3 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C31 P2 112.5(7) . . ?
C32 C31 H31A 109.1 . . ?
P2 C31 H31A 109.1 . . ?
C32 C31 H31B 109.1 . . ?
P2 C31 H31B 109.1 . . ?
H31A C31 H31B 107.8 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P2 115.1(10) . . ?
C34 C33 H33A 108.5 . . ?
P2 C33 H33A 108.5 . . ?
C34 C33 H33B 108.5 . . ?
P2 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P2 115.6(8) . . ?
C36 C35 H35A 108.4 . . ?
P2 C35 H35A 108.4 . . ?
C36 C35 H35B 108.4 . . ?
P2 C35 H35B 108.4 . . ?
H35A C35 H35B 107.4 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
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
Br1 Ni1 2.3656(17) . ?
Ni1 C1 1.888(8) . ?
Ni1 P2 2.209(2) . ?
Ni1 P3 2.221(2) . ?
P2 C33 1.789(12) . ?
P2 C35 1.826(9) . ?
P2 C31 1.883(11) . ?
P3 C25 1.816(10) . ?
P3 C23 1.823(9) . ?
P3 C21 1.842(9) . ?
C1 C6 1.403(11) . ?
C1 C2 1.406(11) . ?
C2 C3 1.390(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.401(12) . ?
C4 C7 1.484(12) . ?
C5 C6 1.403(11) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.317(11) . ?
C7 H8 1.06(8) . ?
C8 C9 1.500(12) . ?
C8 H7 1.02(10) . ?
C9 C10 1.368(12) . ?
C9 C14 1.390(12) . ?
C10 C11 1.394(13) . ?
C10 H10 0.9500 . ?
C11 N12 1.356(12) . ?
C11 H11 0.9500 . ?
N12 C13 1.310(12) . ?
C13 C14 1.383(12) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C21 C22 1.528(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.534(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.551(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 C32 1.519(15) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.461(17) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.545(12) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
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
C1 Ni1 P2 C33 -114.6(6) . . . . ?
P3 Ni1 P2 C33 178.7(7) . . . . ?
Br1 Ni1 P2 C33 57.0(6) . . . . ?
C1 Ni1 P2 C35 15.3(5) . . . . ?
P3 Ni1 P2 C35 -51.3(7) . . . . ?
Br1 Ni1 P2 C35 -173.0(4) . . . . ?
C1 Ni1 P2 C31 130.5(4) . . . . ?
P3 Ni1 P2 C31 63.9(7) . . . . ?
Br1 Ni1 P2 C31 -57.8(3) . . . . ?
C1 Ni1 P3 C25 -77.7(4) . . . . ?
P2 Ni1 P3 C25 -10.7(7) . . . . ?
Br1 Ni1 P3 C25 110.5(3) . . . . ?
C1 Ni1 P3 C23 166.9(4) . . . . ?
P2 Ni1 P3 C23 -126.2(6) . . . . ?
Br1 Ni1 P3 C23 -5.0(4) . . . . ?
C1 Ni1 P3 C21 40.1(5) . . . . ?
P2 Ni1 P3 C21 107.1(7) . . . . ?
Br1 Ni1 P3 C21 -131.7(4) . . . . ?
P2 Ni1 C1 C6 94.2(6) . . . . ?
P3 Ni1 C1 C6 -96.9(6) . . . . ?
P2 Ni1 C1 C2 -86.4(6) . . . . ?
P3 Ni1 C1 C2 82.6(6) . . . . ?
C6 C1 C2 C3 2.8(11) . . . . ?
Ni1 C1 C2 C3 -176.7(6) . . . . ?
C1 C2 C3 C4 0.8(13) . . . . ?
C2 C3 C4 C5 -4.4(12) . . . . ?
C2 C3 C4 C7 177.2(7) . . . . ?
C3 C4 C5 C6 4.3(11) . . . . ?
C7 C4 C5 C6 -177.4(7) . . . . ?
C2 C1 C6 C5 -2.8(11) . . . . ?
Ni1 C1 C6 C5 176.7(6) . . . . ?
C4 C5 C6 C1 -0.6(11) . . . . ?
C3 C4 C7 C8 -167.6(8) . . . . ?
C5 C4 C7 C8 14.1(12) . . . . ?
C4 C7 C8 C9 177.4(7) . . . . ?
C7 C8 C9 C10 11.0(12) . . . . ?
C7 C8 C9 C14 -167.1(7) . . . . ?
C14 C9 C10 C11 2.3(12) . . . . ?
C8 C9 C10 C11 -175.8(8) . . . . ?
C9 C10 C11 N12 -2.3(14) . . . . ?
C10 C11 N12 C13 0.8(14) . . . . ?
C11 N12 C13 C14 0.6(14) . . . . ?
N12 C13 C14 C9 -0.5(14) . . . . ?
C10 C9 C14 C13 -1.0(11) . . . . ?
C8 C9 C14 C13 177.2(7) . . . . ?
C25 P3 C21 C22 -60.7(10) . . . . ?
C23 P3 C21 C22 43.8(10) . . . . ?
Ni1 P3 C21 C22 177.9(8) . . . . ?
C25 P3 C23 C24 166.9(8) . . . . ?
C21 P3 C23 C24 60.1(8) . . . . ?
Ni1 P3 C23 C24 -72.5(8) . . . . ?
C23 P3 C25 C26 68.1(8) . . . . ?
C21 P3 C25 C26 175.3(7) . . . . ?
Ni1 P3 C25 C26 -58.8(7) . . . . ?
C33 P2 C31 C32 165.0(8) . . . . ?
C35 P2 C31 C32 52.4(8) . . . . ?
Ni1 P2 C31 C32 -73.1(8) . . . . ?
C35 P2 C33 C34 -79.3(11) . . . . ?
C31 P2 C33 C34 175.0(11) . . . . ?
Ni1 P2 C33 C34 54.7(13) . . . . ?
C33 P2 C35 C36 -48.6(10) . . . . ?
C31 P2 C35 C36 58.2(9) . . . . ?
Ni1 P2 C35 C36 179.4(7) . . . . ?
