#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:41:47 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178663 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/74/4077423.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_4077423
loop_
_publ_author_name
'Fontaine, Frédéric-Georges'
'Dubois, Marc-André'
'Zargarian, Davit'
_publ_section_title
;
 Solid State Structures and Phosphine Exchange Reactions of
 (1-Me-Indenyl)(PR3)Ni−Cl
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5156
_journal_paper_doi               10.1021/om010608w
_journal_volume                  20
_journal_year                    2001
_chemical_compound_source        'synthesized by the authors, see text'
_chemical_formula_moiety         'C28 H42 Cl Ni P'
_chemical_formula_sum            'C28 H42 Cl Ni P'
_chemical_formula_weight         503.746
_chemical_name_systematic
; 
 ? 
;
_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           'SHELXL96 (Sheldrick, 1996)'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.8960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.4028(4)
_cell_length_b                   39.7337(12)
_cell_length_c                   10.3414(3)
_cell_measurement_reflns_used    12234
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      72.80
_cell_measurement_theta_min      2.25
_cell_volume                     5389.0(3)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXL96 (Sheldrick, 1996)'
_computing_structure_refinement  'SHELXL96 (Sheldrick, 1996)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker AXS SMART 2K/Platform'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus xray tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            65851
_diffrn_reflns_theta_full        72.80
_diffrn_reflns_theta_max         73.05
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        'no decay, variation  0.0'
_diffrn_standards_number         240
_exptl_absorpt_coefficient_mu    2.587
_exptl_absorpt_correction_T_max  0.8900
_exptl_absorpt_correction_T_min  0.6983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.2418
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             2160.0
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.007
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         10606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_restrained_S_obs      1.111
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0906P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1617
_refine_ls_wR_factor_ref         0.1474
_reflns_number_gt                7341
_reflns_number_total             10606
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            om010608w.cif
_cod_data_source_block           fred24
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4077423
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_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.24237(4) 0.362138(13) 0.39993(6) 0.04330(17) Uani 1 d .
Cl1 Cl 0.38942(7) 0.35808(2) 0.54267(11) 0.0628(3) Uani 1 d .
C1 C 0.2138(3) 0.30909(9) 0.3854(4) 0.0550(10) Uani 1 d .
C2 C 0.1257(3) 0.32823(9) 0.3788(4) 0.0603(11) Uani 1 d .
H2 H 0.0770 0.3260 0.4372 0.072 Uiso 1 calc R
C3 C 0.1141(3) 0.34942(9) 0.2656(4) 0.0544(10) Uani 1 d .
H3 H 0.0560 0.3644 0.2347 0.065 Uiso 1 calc R
C3A C 0.1855(3) 0.33813(9) 0.1857(4) 0.0513(9) Uani 1 d .
C4 C 0.2001(3) 0.34720(10) 0.0623(4) 0.0638(11) Uani 1 d .
H4 H 0.1578 0.3630 0.0121 0.077 Uiso 1 calc R
C5 C 0.2778(4) 0.33258(12) 0.0147(5) 0.0795(14) Uani 1 d .
H5 H 0.2882 0.3383 -0.0687 0.095 Uiso 1 calc R
C6 C 0.3417(4) 0.30897(12) 0.0918(5) 0.0807(14) Uani 1 d .
H6 H 0.3947 0.2994 0.0589 0.097 Uiso 1 calc R
C7 C 0.3277(3) 0.29966(10) 0.2144(5) 0.0681(12) Uani 1 d .
H7 H 0.3711 0.2841 0.2644 0.082 Uiso 1 calc R
C7A C 0.2484(3) 0.31358(8) 0.2633(4) 0.0528(10) Uani 1 d .
C8 C 0.2579(3) 0.28421(10) 0.4910(5) 0.0754(14) Uani 1 d .
H8A H 0.2598 0.2940 0.5763 0.113 Uiso 1 calc R
H8B H 0.3258 0.2784 0.4827 0.113 Uiso 1 calc R
H8C H 0.2162 0.2643 0.4814 0.113 Uiso 1 calc R
P1 P 0.23916(6) 0.41715(2) 0.40608(8) 0.03468(19) Uani 1 d .
C11 C 0.3436(2) 0.43698(8) 0.3387(3) 0.0404(8) Uani 1 d .
H11 H 0.3175 0.4584 0.2988 0.048 Uiso 1 calc R
C12 C 0.3684(3) 0.41490(10) 0.2275(4) 0.0526(9) Uani 1 d .
H12A H 0.3932 0.3932 0.2636 0.063 Uiso 1 calc R
H12B H 0.3066 0.4111 0.1616 0.063 Uiso 1 calc R
C13 C 0.4478(4) 0.43097(12) 0.1624(4) 0.0707(12) Uani 1 d .
H13A H 0.4639 0.4158 0.0961 0.085 Uiso 1 calc R
H13B H 0.4203 0.4515 0.1182 0.085 Uiso 1 calc R
C14 C 0.5436(3) 0.43898(13) 0.2616(5) 0.0774(14) Uani 1 d .
H14A H 0.5910 0.4506 0.2177 0.093 Uiso 1 calc R
H14B H 0.5755 0.4182 0.2981 0.093 Uiso 1 calc R
C15 C 0.5213(3) 0.46077(11) 0.3724(4) 0.0658(11) Uani 1 d .
H15A H 0.4971 0.4826 0.3374 0.079 Uiso 1 calc R
H15B H 0.5837 0.4642 0.4377 0.079 Uiso 1 calc R
C16 C 0.4409(3) 0.44459(9) 0.4388(4) 0.0498(9) Uani 1 d .
H16A H 0.4680 0.4239 0.4820 0.060 Uiso 1 calc R
H16B H 0.4257 0.4597 0.5058 0.060 Uiso 1 calc R
C21 C 0.2584(2) 0.43137(8) 0.5802(3) 0.0387(7) Uani 1 d .
H21 H 0.3313 0.4280 0.6165 0.046 Uiso 1 calc R
C22 C 0.2398(3) 0.46891(8) 0.6001(3) 0.0463(8) Uani 1 d .
H22A H 0.2771 0.4822 0.5472 0.056 Uiso 1 calc R
H22B H 0.1678 0.4738 0.5708 0.056 Uiso 1 calc R
C23 C 0.2740(3) 0.47855(10) 0.7455(4) 0.0583(10) Uani 1 d .
H23A H 0.3470 0.4753 0.7727 0.070 Uiso 1 calc R
H23B H 0.2594 0.5022 0.7567 0.070 Uiso 1 calc R
C24 C 0.2198(3) 0.45739(12) 0.8319(4) 0.0710(13) Uani 1 d .
H24A H 0.2457 0.4630 0.9240 0.085 Uiso 1 calc R
H24B H 0.1474 0.4624 0.8112 0.085 Uiso 1 calc R
C25 C 0.2355(3) 0.42023(11) 0.8108(4) 0.0658(12) Uani 1 d .
H25A H 0.3069 0.4148 0.8421 0.079 Uiso 1 calc R
H25B H 0.1964 0.4074 0.8628 0.079 Uiso 1 calc R
C26 C 0.2036(3) 0.41000(9) 0.6673(3) 0.0510(9) Uani 1 d .
H26A H 0.1305 0.4128 0.6385 0.061 Uiso 1 calc R
H26B H 0.2197 0.3864 0.6580 0.061 Uiso 1 calc R
C31 C 0.1260(2) 0.44088(8) 0.3181(3) 0.0395(8) Uani 1 d .
H31 H 0.1394 0.4646 0.3418 0.047 Uiso 1 calc R
C32 C 0.1094(3) 0.43929(8) 0.1680(3) 0.0459(8) Uani 1 d .
H32A H 0.1705 0.4469 0.1404 0.055 Uiso 1 calc R
H32B H 0.0970 0.4162 0.1393 0.055 Uiso 1 calc R
C33 C 0.0195(3) 0.46102(9) 0.1029(4) 0.0582(11) Uani 1 d .
H33A H 0.0357 0.4845 0.1229 0.070 Uiso 1 calc R
H33B H 0.0080 0.4582 0.0078 0.070 Uiso 1 calc R
C34 C -0.0766(3) 0.45198(11) 0.1494(4) 0.0683(12) Uani 1 d .
H34A H -0.0977 0.4294 0.1198 0.082 Uiso 1 calc R
H34B H -0.1307 0.4674 0.1106 0.082 Uiso 1 calc R
C35 C -0.0606(3) 0.45360(11) 0.2981(4) 0.0654(12) Uani 1 d .
H35A H -0.1221 0.4461 0.3252 0.078 Uiso 1 calc R
H35B H -0.0479 0.4767 0.3267 0.078 Uiso 1 calc R
C36 C 0.0289(3) 0.43166(10) 0.3649(4) 0.0519(9) Uani 1 d .
H36A H 0.0400 0.4345 0.4599 0.062 Uiso 1 calc R
H36B H 0.0128 0.4082 0.3450 0.062 Uiso 1 calc R
Ni2 Ni 0.80516(4) 0.386420(13) 0.74677(5) 0.03902(16) Uani 1 d .
Cl2 Cl 0.95659(7) 0.39322(2) 0.87219(10) 0.0584(3) Uani 1 d .
C51 C 0.8025(3) 0.43472(8) 0.6532(3) 0.0457(8) Uani 1 d .
C52 C 0.7607(3) 0.40883(9) 0.5665(3) 0.0505(9) Uani 1 d .
H52 H 0.7834 0.4024 0.4856 0.061 Uiso 1 calc R
C53 C 0.6756(3) 0.39544(8) 0.6092(3) 0.0496(9) Uani 1 d .
H53 H 0.6305 0.3780 0.5625 0.059 Uiso 1 calc R
C53A C 0.6499(3) 0.41798(8) 0.7088(3) 0.0434(8) Uani 1 d .
C54 C 0.5697(3) 0.41919(11) 0.7729(4) 0.0584(10) Uani 1 d .
H54 H 0.5167 0.4037 0.7540 0.070 Uiso 1 calc R
C55 C 0.5703(3) 0.44415(13) 0.8662(4) 0.0695(12) Uani 1 d .
H55 H 0.5160 0.4456 0.9093 0.083 Uiso 1 calc R
C56 C 0.6490(4) 0.46683(11) 0.8969(4) 0.0653(12) Uani 1 d .
H56 H 0.6473 0.4830 0.9613 0.078 Uiso 1 calc R
C57 C 0.7305(3) 0.46613(9) 0.8346(4) 0.0526(9) Uani 1 d .
H57 H 0.7839 0.4814 0.8567 0.063 Uiso 1 calc R
C57A C 0.7302(3) 0.44177(8) 0.7373(3) 0.0405(8) Uani 1 d .
C58 C 0.8953(3) 0.45502(10) 0.6509(4) 0.0651(11) Uani 1 d .
H58A H 0.9383 0.4431 0.6029 0.098 Uiso 1 calc R
H58B H 0.9317 0.4589 0.7398 0.098 Uiso 1 calc R
H58C H 0.8758 0.4762 0.6085 0.098 Uiso 1 calc R
P2 P 0.78225(7) 0.33475(2) 0.80830(8) 0.0369(2) Uani 1 d .
C61 C 0.6730(3) 0.31285(8) 0.7020(3) 0.0422(8) Uani 1 d .
H61 H 0.6166 0.3290 0.6888 0.051 Uiso 1 calc R
C62 C 0.6322(3) 0.28138(10) 0.7565(4) 0.0584(10) Uani 1 d .
H62A H 0.6177 0.2862 0.8427 0.070 Uiso 1 calc R
H62B H 0.6833 0.2637 0.7668 0.070 Uiso 1 calc R
C63 C 0.5352(3) 0.26954(10) 0.6628(4) 0.0667(12) Uani 1 d .
H63A H 0.5110 0.2490 0.6970 0.080 Uiso 1 calc R
H63B H 0.4826 0.2865 0.6582 0.080 Uiso 1 calc R
C64 C 0.5539(3) 0.26309(10) 0.5259(4) 0.0655(12) Uani 1 d .
H64A H 0.4904 0.2566 0.4678 0.079 Uiso 1 calc R
H64B H 0.6016 0.2446 0.5292 0.079 Uiso 1 calc R
C65 C 0.5963(3) 0.29395(9) 0.4707(3) 0.0569(10) Uani 1 d .
H65A H 0.5458 0.3118 0.4587 0.068 Uiso 1 calc R
H65B H 0.6112 0.2887 0.3851 0.068 Uiso 1 calc R
C66 C 0.6930(3) 0.30590(9) 0.5637(3) 0.0473(9) Uani 1 d .
H66A H 0.7173 0.3263 0.5288 0.057 Uiso 1 calc R
H66B H 0.7455 0.2889 0.5694 0.057 Uiso 1 calc R
C71 C 0.9001(3) 0.31011(9) 0.8165(3) 0.0481(9) Uani 1 d .
H71 H 0.9494 0.3201 0.8896 0.058 Uiso 1 calc R
C72 C 0.8963(3) 0.27280(10) 0.8528(4) 0.0662(12) Uani 1 d .
H72A H 0.8688 0.2706 0.9320 0.079 Uiso 1 calc R
H72B H 0.8515 0.2609 0.7819 0.079 Uiso 1 calc R
C73 C 1.0018(4) 0.25728(13) 0.8761(5) 0.0933(17) Uani 1 d .
H73A H 0.9973 0.2335 0.8952 0.112 Uiso 1 calc R
H73B H 1.0450 0.2679 0.9520 0.112 Uiso 1 calc R
C74 C 1.0492(4) 0.26174(15) 0.7552(5) 0.113(2) Uani 1 d .
H74A H 1.1178 0.2526 0.7736 0.136 Uiso 1 calc R
H74B H 1.0094 0.2494 0.6812 0.136 Uiso 1 calc R
C75 C 1.0528(4) 0.29827(14) 0.7195(5) 0.0914(17) Uani 1 d .
H75A H 1.0808 0.3004 0.6405 0.110 Uiso 1 calc R
H75B H 1.0979 0.3101 0.7905 0.110 Uiso 1 calc R
C76 C 0.9480(3) 0.31453(11) 0.6954(4) 0.0610(11) Uani 1 d .
H76A H 0.9045 0.3043 0.6189 0.073 Uiso 1 calc R
H76B H 0.9539 0.3383 0.6772 0.073 Uiso 1 calc R
C81 C 0.7546(3) 0.33087(8) 0.9754(3) 0.0435(8) Uani 1 d .
H81 H 0.7400 0.3071 0.9891 0.052 Uiso 1 calc R
C82 C 0.6590(3) 0.35102(11) 0.9846(4) 0.0625(11) Uani 1 d .
H82A H 0.6708 0.3747 0.9699 0.075 Uiso 1 calc R
H82B H 0.6026 0.3436 0.9160 0.075 Uiso 1 calc R
C83 C 0.6309(4) 0.34666(12) 1.1197(4) 0.0734(13) Uani 1 d .
H83A H 0.5716 0.3603 1.1237 0.088 Uiso 1 calc R
H83B H 0.6137 0.3233 1.1316 0.088 Uiso 1 calc R
C84 C 0.7187(4) 0.35705(12) 1.2288(4) 0.0817(15) Uani 1 d .
H84A H 0.7007 0.3531 1.3138 0.098 Uiso 1 calc R
H84B H 0.7316 0.3809 1.2215 0.098 Uiso 1 calc R
C85 C 0.8140(4) 0.33746(13) 1.2215(4) 0.0783(14) Uani 1 d .
H85A H 0.8030 0.3138 1.2374 0.094 Uiso 1 calc R
H85B H 0.8698 0.3453 1.2903 0.094 Uiso 1 calc R
C86 C 0.8434(3) 0.34141(11) 1.0872(3) 0.0624(11) Uani 1 d .
H86A H 0.9026 0.3276 1.0845 0.075 Uiso 1 calc R
H86B H 0.8613 0.3647 1.0749 0.075 Uiso 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 0.0181 0.0091 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 '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_publ_flag
C3 Ni1 C2 40.85(15) y
C3 Ni1 C1 66.10(14) y
C2 Ni1 C1 38.85(14) y
C3 Ni1 P1 104.39(11) y
C2 Ni1 P1 130.04(12) y
C1 Ni1 P1 168.83(11) y
C3 Ni1 Cl1 161.29(11) y
C2 Ni1 Cl1 125.53(11) y
C1 Ni1 Cl1 95.56(10) y
P1 Ni1 Cl1 94.22(4) y
C3 Ni1 C3A 37.41(14) y
C2 Ni1 C3A 62.99(16) y
C1 Ni1 C3A 61.54(14) y
P1 Ni1 C3A 114.94(9) y
Cl1 Ni1 C3A 131.33(10) y
C3 Ni1 C7A 61.73(14) y
C2 Ni1 C7A 61.64(16) y
C1 Ni1 C7A 36.46(14) y
P1 Ni1 C7A 145.36(10) y
Cl1 Ni1 C7A 101.56(9) y
C3A Ni1 C7A 34.59(11) y
C2 C1 C7A 108.2(3) y
C2 C1 C8 126.7(4) y
C7A C1 C8 124.7(4) y
C2 C1 Ni1 66.7(2) y
C7A C1 Ni1 81.7(2) y
C8 C1 Ni1 124.0(3) y
C1 C2 C3 108.1(4) y
C1 C2 Ni1 74.5(2) y
C3 C2 Ni1 69.5(2) y
C1 C2 H2 125.8 ?
C3 C2 H2 125.8 ?
Ni1 C2 H2 125.85 ?
C2 C3 C3A 108.1(3) y
C2 C3 Ni1 69.7(2) y
C3A C3 Ni1 84.4(2) y
C2 C3 H3 124.9 ?
C3A C3 H3 124.9 ?
Ni1 C3 H3 124.92 ?
C4 C3A C7A 121.3(4) y
C4 C3A C3 132.8(4) y
C7A C3A C3 105.9(4) y
C4 C3A Ni1 132.5(3) y
C7A C3A Ni1 73.3(2) y
C3 C3A Ni1 58.20(19) y
C5 C4 C3A 119.1(4) y
C5 C4 H4 120.5 ?
C3A C4 H4 120.5 ?
C4 C5 C6 119.9(5) y
C4 C5 H5 120.0 ?
C6 C5 H5 120.0 ?
C7 C6 C5 121.5(5) y
C7 C6 H6 119.2 ?
C5 C6 H6 119.2 ?
C6 C7 C7A 119.5(4) y
C6 C7 H7 120.3 ?
C7A C7 H7 120.3 ?
C7 C7A C3A 118.6(4) y
C7 C7A C1 132.9(4) y
C3A C7A C1 108.5(3) y
C7 C7A Ni1 131.2(3) y
C3A C7A Ni1 72.1(2) y
C1 C7A Ni1 61.88(19) y
C1 C8 H8A 109.5 ?
C1 C8 H8B 109.5 ?
H8A C8 H8B 109.5 ?
C1 C8 H8C 109.5 ?
H8A C8 H8C 109.5 ?
H8B C8 H8C 109.5 ?
C21 P1 C31 104.92(14) y
C21 P1 C11 105.63(15) y
C31 P1 C11 101.69(15) y
C21 P1 Ni1 109.47(11) y
C31 P1 Ni1 120.80(11) y
C11 P1 Ni1 113.03(11) y
C16 C11 C12 109.6(3) y
C16 C11 P1 115.8(2) y
C12 C11 P1 109.5(2) y
C16 C11 H11 107.18 ?
C12 C11 H11 107.18 ?
P1 C11 H11 107.18 ?
C13 C12 C11 111.9(3) y
C13 C12 H12A 109.2 ?
C11 C12 H12A 109.2 ?
C13 C12 H12B 109.2 ?
C11 C12 H12B 109.24 ?
H12A C12 H12B 107.9 ?
C14 C13 C12 111.4(3) y
C14 C13 H13A 109.3 ?
C12 C13 H13A 109.3 ?
C14 C13 H13B 109.3 ?
C12 C13 H13B 109.3 ?
H13A C13 H13B 108.0 ?
C13 C14 C15 111.3(4) y
C13 C14 H14A 109.4 ?
C15 C14 H14A 109.4 ?
C13 C14 H14B 109.4 ?
C15 C14 H14B 109.4 ?
H14A C14 H14B 108.0 ?
C14 C15 C16 111.4(3) y
C14 C15 H15A 109.3 ?
C16 C15 H15A 109.3 ?
C14 C15 H15B 109.3 ?
C16 C15 H15B 109.3 ?
H15A C15 H15B 108.0 ?
C11 C16 C15 111.2(3) y
C11 C16 H16A 109.38 ?
C15 C16 H16A 109.4 ?
C11 C16 H16B 109.38 ?
C15 C16 H16B 109.4 ?
H16A C16 H16B 108.0 ?
C26 C21 C22 110.4(3) y
C26 C21 P1 114.5(2) y
C22 C21 P1 115.7(2) y
C26 C21 H21 105.01 ?
C22 C21 H21 105.01 ?
P1 C21 H21 105.01 ?
C23 C22 C21 110.6(3) y
C23 C22 H22A 109.5 ?
C21 C22 H22A 109.53 ?
C23 C22 H22B 109.5 ?
C21 C22 H22B 109.53 ?
H22A C22 H22B 108.1 ?
C24 C23 C22 111.0(3) y
C24 C23 H23A 109.4 ?
C22 C23 H23A 109.4 ?
C24 C23 H23B 109.4 ?
C22 C23 H23B 109.4 ?
H23A C23 H23B 108.0 ?
C25 C24 C23 111.0(3) y
C25 C24 H24A 109.4 ?
C23 C24 H24A 109.4 ?
C25 C24 H24B 109.4 ?
C23 C24 H24B 109.4 ?
H24A C24 H24B 108.0 ?
C26 C25 C24 112.6(3) y
C26 C25 H25A 109.1 ?
C24 C25 H25A 109.1 ?
C26 C25 H25B 109.1 ?
C24 C25 H25B 109.1 ?
H25A C25 H25B 107.8 ?
C25 C26 C21 110.8(3) y
C25 C26 H26A 109.5 ?
C21 C26 H26A 109.5 ?
C25 C26 H26B 109.5 ?
C21 C26 H26B 109.5 ?
H26A C26 H26B 108.1 ?
C32 C31 C36 111.0(3) y
C32 C31 P1 114.3(2) y
C36 C31 P1 112.8(2) y
C32 C31 H31 106.0 ?
C36 C31 H31 106.0 ?
P1 C31 H31 106.0 ?
C33 C32 C31 111.3(3) y
C33 C32 H32A 109.4 ?
C31 C32 H32A 109.4 ?
C33 C32 H32B 109.4 ?
C31 C32 H32B 109.4 ?
H32A C32 H32B 108.0 ?
C34 C33 C32 112.0(3) y
C34 C33 H33A 109.2 ?
C32 C33 H33A 109.2 ?
C34 C33 H33B 109.2 ?
C32 C33 H33B 109.2 ?
H33A C33 H33B 107.9 ?
C33 C34 C35 111.3(3) y
C33 C34 H34A 109.4 ?
C35 C34 H34A 109.4 ?
C33 C34 H34B 109.4 ?
C35 C34 H34B 109.4 ?
H34A C34 H34B 108.0 ?
C34 C35 C36 111.7(3) y
C34 C35 H35A 109.3 ?
C36 C35 H35A 109.3 ?
C34 C35 H35B 109.3 ?
C36 C35 H35B 109.3 ?
H35A C35 H35B 107.9 ?
C31 C36 C35 111.2(3) y
C31 C36 H36A 109.4 ?
C35 C36 H36A 109.4 ?
C31 C36 H36B 109.4 ?
C35 C36 H36B 109.4 ?
H36A C36 H36B 108.0 ?
C53 Ni2 C52 40.44(14) y
C53 Ni2 C51 66.11(14) y
C52 Ni2 C51 39.06(13) y
C53 Ni2 Cl2 160.92(11) y
C52 Ni2 Cl2 123.22(12) y
C51 Ni2 Cl2 94.83(10) y
C53 Ni2 P2 102.57(10) y
C52 Ni2 P2 129.97(11) y
C51 Ni2 P2 168.26(10) y
Cl2 Ni2 P2 96.43(4) y
C53 Ni2 C53A 37.41(13) y
C52 Ni2 C53A 62.70(14) y
C51 Ni2 C53A 61.59(13) y
Cl2 Ni2 C53A 134.57(9) y
P2 Ni2 C53A 111.70(9) y
C53 Ni2 C57A 61.52(12) y
C52 Ni2 C57A 61.61(13) y
C51 Ni2 C57A 36.68(12) y
Cl2 Ni2 C57A 103.84(9) y
P2 Ni2 C57A 141.69(9) y
C53A Ni2 C57A 34.33(11) y
C52 C51 C57A 107.2(3) y
C52 C51 C58 127.7(3) y
C57A C51 C58 124.5(3) y
C52 C51 Ni2 66.42(19) y
C57A C51 Ni2 81.6(2) y
C58 C51 Ni2 123.8(3) y
C51 C52 C53 108.5(3) y
C51 C52 Ni2 74.5(2) y
C53 C52 Ni2 69.62(19) y
C51 C52 H52 125.6 ?
C53 C52 H52 125.6 ?
Ni2 C52 H52 125.6 ?
C52 C53 C53A 108.3(3) y
C52 C53 Ni2 69.9(2) y
C53A C53 Ni2 84.6(2) y
C52 C53 H53 124.8 ?
C53A C53 H53 124.8 ?
Ni2 C53 H53 124.77 ?
C54 C53A C57A 120.8(3) y
C54 C53A C53 133.2(4) y
C57A C53A C53 106.0(3) y
C54 C53A Ni2 132.8(2) y
C57A C53A Ni2 73.58(19) y
C53 C53A Ni2 57.97(18) y
C53A C54 C55 118.0(4) y
C53A C54 H54 121.0 ?
C55 C54 H54 121.0 ?
C56 C55 C54 121.7(4) y
C56 C55 H55 119.2 ?
C54 C55 H55 119.2 ?
C55 C56 C57 121.6(4) y
C55 C56 H56 119.2 ?
C57 C56 H56 119.2 ?
C56 C57 C57A 117.8(4) y
C56 C57 H57 121.1 ?
C57A C57 H57 121.1 ?
C57 C57A C53A 120.1(3) y
C57 C57A C51 131.4(3) y
C53A C57A C51 108.5(3) y
C57 C57A Ni2 131.6(2) y
C53A C57A Ni2 72.09(19) y
C51 C57A Ni2 61.71(17) y
C51 C58 H58A 109.5 ?
C51 C58 H58B 109.5 ?
H58A C58 H58B 109.5 ?
C51 C58 H58C 109.5 ?
H58A C58 H58C 109.5 ?
H58B C58 H58C 109.5 ?
C71 P2 C81 104.34(15) y
C71 P2 C61 109.97(16) y
C81 P2 C61 103.25(15) y
C71 P2 Ni2 109.93(12) y
C81 P2 Ni2 114.67(11) y
C61 P2 Ni2 114.08(11) y
C62 C61 C66 110.1(3) y
C62 C61 P2 117.8(2) y
C66 C61 P2 111.6(2) y
C62 C61 H61 105.4 ?
C66 C61 H61 105.4 ?
P2 C61 H61 105.4 ?
C61 C62 C63 110.0(3) y
C61 C62 H62A 109.7 ?
C63 C62 H62A 109.7 ?
C61 C62 H62B 109.7 ?
C63 C62 H62B 109.7 ?
H62A C62 H62B 108.2 ?
C64 C63 C62 111.2(4) y
C64 C63 H63A 109.4 ?
C62 C63 H63A 109.4 ?
C64 C63 H63B 109.4 ?
C62 C63 H63B 109.4 ?
H63A C63 H63B 108.0 ?
C63 C64 C65 111.4(3) y
C63 C64 H64A 109.4 ?
C65 C64 H64A 109.4 ?
C63 C64 H64B 109.4 ?
C65 C64 H64B 109.4 ?
H64A C64 H64B 108.0 ?
C64 C65 C66 110.6(3) y
C64 C65 H65A 109.5 ?
C66 C65 H65A 109.5 ?
C64 C65 H65B 109.5 ?
C66 C65 H65B 109.5 ?
H65A C65 H65B 108.1 ?
C65 C66 C61 110.8(3) y
C65 C66 H66A 109.5 ?
C61 C66 H66A 109.5 ?
C65 C66 H66B 109.5 ?
C61 C66 H66B 109.5 ?
H66A C66 H66B 108.1 ?
C76 C71 C72 110.6(3) y
C76 C71 P2 113.6(2) y
C72 C71 P2 117.0(3) y
C76 C71 H71 104.8 ?
C72 C71 H71 104.8 ?
P2 C71 H71 104.8 ?
C73 C72 C71 110.8(4) y
C73 C72 H72A 109.5 ?
C71 C72 H72A 109.5 ?
C73 C72 H72B 109.5 ?
C71 C72 H72B 109.5 ?
H72A C72 H72B 108.1 ?
C72 C73 C74 110.8(4) y
C72 C73 H73A 109.5 ?
C74 C73 H73A 109.5 ?
C72 C73 H73B 109.5 ?
C74 C73 H73B 109.5 ?
H73A C73 H73B 108.1 ?
C75 C74 C73 110.7(4) y
C75 C74 H74A 109.5 ?
C73 C74 H74A 109.5 ?
C75 C74 H74B 109.5 ?
C73 C74 H74B 109.5 ?
H74A C74 H74B 108.1 ?
C74 C75 C76 112.1(4) y
C74 C75 H75A 109.2 ?
C76 C75 H75A 109.2 ?
C74 C75 H75B 109.2 ?
C76 C75 H75B 109.2 ?
H75A C75 H75B 107.9 ?
C75 C76 C71 110.3(3) y
C75 C76 H76A 109.6 ?
C71 C76 H76A 109.6 ?
C75 C76 H76B 109.6 ?
C71 C76 H76B 109.6 ?
H76A C76 H76B 108.1 ?
C82 C81 C86 109.8(3) y
C82 C81 P2 110.3(2) y
C86 C81 P2 114.1(2) y
C82 C81 H81 107.5 ?
C86 C81 H81 107.5 ?
P2 C81 H81 107.5 ?
C83 C82 C81 111.4(3) y
C83 C82 H82A 109.4 ?
C81 C82 H82A 109.4 ?
C83 C82 H82B 109.4 ?
C81 C82 H82B 109.4 ?
H82A C82 H82B 108.0 ?
C84 C83 C82 110.5(4) y
C84 C83 H83A 109.5 ?
C82 C83 H83A 109.5 ?
C84 C83 H83B 109.5 ?
C82 C83 H83B 109.5 ?
H83A C83 H83B 108.1 ?
C83 C84 C85 111.0(4) y
C83 C84 H84A 109.4 ?
C85 C84 H84A 109.4 ?
C83 C84 H84B 109.4 ?
C85 C84 H84B 109.4 ?
H84A C84 H84B 108.0 ?
C84 C85 C86 111.8(4) y
C84 C85 H85A 109.3 ?
C86 C85 H85A 109.3 ?
C84 C85 H85B 109.3 ?
C86 C85 H85B 109.3 ?
H85A C85 H85B 107.9 ?
C85 C86 C81 110.6(3) y
C85 C86 H86A 109.5 ?
C81 C86 H86A 109.5 ?
C85 C86 H86B 109.5 ?
C81 C86 H86B 109.5 ?
H86A C86 H86B 108.1 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 C3 2.039(4) y
Ni1 C2 2.042(4) y
Ni1 C1 2.142(4) y
Ni1 P1 2.1875(10) y
Ni1 Cl1 2.2114(10) y
Ni1 C3A 2.388(4) y
Ni1 C7A 2.403(4) y
C1 C2 1.395(5) y
C1 C7A 1.443(5) y
C1 C8 1.501(5) y
C2 C3 1.424(5) y
C2 H2 0.9800 ?
C3 C3A 1.458(5) y
C3 H3 0.9800 ?
C3A C4 1.378(5) y
C3A C7A 1.424(5) y
C4 C5 1.370(6) y
C4 H4 0.9300 ?
C5 C6 1.402(6) y
C5 H5 0.9300 ?
C6 C7 1.371(6) y
C6 H6 0.9300 ?
C7 C7A 1.382(5) y
C7 H7 0.9300 ?
C8 H8A 0.9600 ?
C8 H8B 0.9600 ?
C8 H8C 0.9600 ?
P1 C21 1.854(3) y
P1 C31 1.857(3) y
P1 C11 1.862(3) y
C11 C16 1.519(5) y
C11 C12 1.536(5) y
C11 H11 0.9800 ?
C12 C13 1.513(5) y
C12 H12A 0.9700 ?
C12 H12B 0.9700 ?
C13 C14 1.503(6) y
C13 H13A 0.9700 ?
C13 H13B 0.9700 ?
C14 C15 1.515(6) y
C14 H14A 0.9700 ?
C14 H14B 0.9700 ?
C15 C16 1.533(5) y
C15 H15A 0.9700 ?
C15 H15B 0.9700 ?
C16 H16A 0.9700 ?
C16 H16B 0.9700 ?
C21 C26 1.531(4) y
C21 C22 1.533(4) y
C21 H21 0.9800 ?
C22 C23 1.528(5) y
C22 H22A 0.9700 ?
C22 H22B 0.9700 ?
C23 C24 1.517(6) y
C23 H23A 0.9700 ?
C23 H23B 0.9700 ?
C24 C25 1.513(6) y
C24 H24A 0.9700 ?
C24 H24B 0.9700 ?
C25 C26 1.513(5) y
C25 H25A 0.9700 ?
C25 H25B 0.9700 ?
C26 H26A 0.9700 ?
C26 H26B 0.9700 ?
C31 C32 1.523(4) y
C31 C36 1.524(5) y
C31 H31 0.9800 ?
C32 C33 1.522(4) y
C32 H32A 0.9700 ?
C32 H32B 0.9700 ?
C33 C34 1.508(6) y
C33 H33A 0.9700 ?
C33 H33B 0.9700 ?
C34 C35 1.510(5) y
C34 H34A 0.9700 ?
C34 H34B 0.9700 ?
C35 C36 1.529(4) y
C35 H35A 0.9700 ?
C35 H35B 0.9700 ?
C36 H36A 0.9700 ?
C36 H36B 0.9700 ?
Ni2 C53 2.037(3) y
Ni2 C52 2.041(3) y
Ni2 C51 2.146(3) y
Ni2 Cl2 2.1884(10) y
Ni2 P2 2.1897(10) y
Ni2 C53A 2.392(3) y
Ni2 C57A 2.411(3) y
C51 C52 1.403(5) y
C51 C57A 1.456(5) y
C51 C58 1.487(5) y
C52 C53 1.409(5) y
C52 H52 0.9800 ?
C53 C53A 1.459(5) y
C53 H53 0.9800 ?
C53A C54 1.374(5) y
C53A C57A 1.417(5) y
C54 C55 1.383(6) y
C54 H54 0.9300 ?
C55 C56 1.374(6) y
C55 H55 0.9300 ?
C56 C57 1.377(5) y
C56 H56 0.9300 ?
C57 C57A 1.396(5) y
C57 H57 0.9300 ?
C58 H58A 0.9600 ?
C58 H58B 0.9600 ?
C58 H58C 0.9600 ?
P2 C71 1.845(3) y
P2 C81 1.847(3) y
P2 C61 1.857(3) y
C61 C62 1.519(5) y
C61 C66 1.533(4) y
C61 H61 0.9800 ?
C62 C63 1.527(5) y
C62 H62A 0.9700 ?
C62 H62B 0.9700 ?
C63 C64 1.510(5) y
C63 H63A 0.9700 ?
C63 H63B 0.9700 ?
C64 C65 1.512(5) y
C64 H64A 0.9700 ?
C64 H64B 0.9700 ?
C65 C66 1.522(5) y
C65 H65A 0.9700 ?
C65 H65B 0.9700 ?
C66 H66A 0.9700 ?
C66 H66B 0.9700 ?
C71 C76 1.531(5) y
C71 C72 1.532(5) y
C71 H71 0.9800 ?
C72 C73 1.516(6) y
C72 H72A 0.9700 ?
C72 H72B 0.9700 ?
C73 C74 1.525(6) y
C73 H73A 0.9700 ?
C73 H73B 0.9700 ?
C74 C75 1.501(7) y
C74 H74A 0.9700 ?
C74 H74B 0.9700 ?
C75 C76 1.520(5) y
C75 H75A 0.9700 ?
C75 H75B 0.9700 ?
C76 H76A 0.9700 ?
C76 H76B 0.9700 ?
C81 C82 1.530(5) y
C81 C86 1.537(5) y
C81 H81 0.9800 ?
C82 C83 1.530(5) y
C82 H82A 0.9700 ?
C82 H82B 0.9700 ?
C83 C84 1.511(6) y
C83 H83A 0.9700 ?
C83 H83B 0.9700 ?
C84 C85 1.512(6) y
C84 H84A 0.9700 ?
C84 H84B 0.9700 ?
C85 C86 1.528(5) y
C85 H85A 0.9700 ?
C85 H85B 0.9700 ?
C86 H86A 0.9700 ?
C86 H86B 0.9700 ?
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_publ_flag
C3 Ni1 C1 C2 -39.8(3) y
P1 Ni1 C1 C2 -6.9(8) y
Cl1 Ni1 C1 C2 144.1(2) y
C3A Ni1 C1 C2 -81.3(3) y
C7A Ni1 C1 C2 -114.0(3) y
C3 Ni1 C1 C7A 74.2(2) y
C2 Ni1 C1 C7A 114.0(3) y
P1 Ni1 C1 C7A 107.0(6) y
Cl1 Ni1 C1 C7A -102.0(2) y
C3A Ni1 C1 C7A 32.6(2) y
C3 Ni1 C1 C8 -159.3(4) y
C2 Ni1 C1 C8 -119.6(5) y
P1 Ni1 C1 C8 -126.5(5) y
Cl1 Ni1 C1 C8 24.5(4) y
C3A Ni1 C1 C8 159.1(4) y
C7A Ni1 C1 C8 126.5(5) y
C7A C1 C2 C3 -10.4(4) y
C8 C1 C2 C3 177.7(4) y
Ni1 C1 C2 C3 61.7(3) y
C7A C1 C2 Ni1 -72.1(3) y
C8 C1 C2 Ni1 116.0(4) y
C3 Ni1 C2 C1 116.6(4) y
P1 Ni1 C2 C1 178.25(19) y
Cl1 Ni1 C2 C1 -45.8(3) y
C3A Ni1 C2 C1 77.3(3) y
C7A Ni1 C2 C1 38.1(2) y
C1 Ni1 C2 C3 -116.6(4) y
P1 Ni1 C2 C3 61.6(3) y
Cl1 Ni1 C2 C3 -162.48(19) y
C3A Ni1 C2 C3 -39.3(2) y
C7A Ni1 C2 C3 -78.5(3) y
C1 C2 C3 C3A 11.7(4) y
Ni1 C2 C3 C3A 76.7(3) y
C1 C2 C3 Ni1 -65.0(3) y
C1 Ni1 C3 C2 37.8(2) y
P1 Ni1 C3 C2 -135.9(2) y
Cl1 Ni1 C3 C2 49.8(5) y
C3A Ni1 C3 C2 111.7(3) y
C7A Ni1 C3 C2 78.3(3) y
C2 Ni1 C3 C3A -111.7(3) y
C1 Ni1 C3 C3A -73.8(2) y
P1 Ni1 C3 C3A 112.40(19) y
Cl1 Ni1 C3 C3A -61.8(5) y
C7A Ni1 C3 C3A -33.3(2) y
C2 C3 C3A C4 172.9(4) y
Ni1 C3 C3A C4 -120.6(4) y
C2 C3 C3A C7A -8.4(4) y
Ni1 C3 C3A C7A 58.1(3) y
C2 C3 C3A Ni1 -66.5(2) y
C3 Ni1 C3A C4 121.1(5) y
C2 Ni1 C3A C4 164.1(4) y
C1 Ni1 C3A C4 -151.8(4) y
P1 Ni1 C3A C4 40.1(4) y
Cl1 Ni1 C3A C4 -81.0(4) y
C7A Ni1 C3A C4 -117.4(5) y
C3 Ni1 C3A C7A -121.5(3) y
C2 Ni1 C3A C7A -78.5(3) y
C1 Ni1 C3A C7A -34.4(2) y
P1 Ni1 C3A C7A 157.5(2) y
Cl1 Ni1 C3A C7A 36.4(3) y
C2 Ni1 C3A C3 43.0(2) y
C1 Ni1 C3A C3 87.1(2) y
P1 Ni1 C3A C3 -81.0(2) y
Cl1 Ni1 C3A C3 157.88(18) y
C7A Ni1 C3A C3 121.5(3) y
C7A C3A C4 C5 -1.0(6) y
C3 C3A C4 C5 177.5(4) y
Ni1 C3A C4 C5 94.8(5) y
C3A C4 C5 C6 -0.5(7) y
C4 C5 C6 C7 0.8(7) y
C5 C6 C7 C7A 0.5(7) y
C6 C7 C7A C3A -2.0(6) y
C6 C7 C7A C1 179.7(4) y
C6 C7 C7A Ni1 -92.7(5) y
C4 C3A C7A C7 2.3(5) y
C3 C3A C7A C7 -176.6(3) y
Ni1 C3A C7A C7 -127.7(3) y
C4 C3A C7A C1 -179.1(3) y
C3 C3A C7A C1 2.1(4) y
Ni1 C3A C7A C1 51.0(2) y
C4 C3A C7A Ni1 130.0(4) y
C3 C3A C7A Ni1 -48.9(2) y
C2 C1 C7A C7 -176.5(4) y
C8 C1 C7A C7 -4.4(6) y
Ni1 C1 C7A C7 121.5(4) y
C2 C1 C7A C3A 5.1(4) y
C8 C1 C7A C3A 177.2(3) y
Ni1 C1 C7A C3A -56.9(3) y
C2 C1 C7A Ni1 62.0(2) y
C8 C1 C7A Ni1 -125.8(4) y
C3 Ni1 C7A C7 148.8(5) y
C2 Ni1 C7A C7 -164.5(5) y
C1 Ni1 C7A C7 -123.9(5) y
P1 Ni1 C7A C7 75.2(4) y
Cl1 Ni1 C7A C7 -40.2(4) y
C3A Ni1 C7A C7 112.8(5) y
C3 Ni1 C7A C3A 36.0(2) y
C2 Ni1 C7A C3A 82.7(3) y
C1 Ni1 C7A C3A 123.4(3) y
P1 Ni1 C7A C3A -37.6(3) y
Cl1 Ni1 C7A C3A -153.0(2) y
C3 Ni1 C7A C1 -87.4(2) y
C2 Ni1 C7A C1 -40.6(2) y
P1 Ni1 C7A C1 -160.97(18) y
Cl1 Ni1 C7A C1 83.7(2) y
C3A Ni1 C7A C1 -123.4(3) y
C3 Ni1 P1 C21 129.72(16) y
C2 Ni1 P1 C21 93.3(2) y
C1 Ni1 P1 C21 99.0(6) y
Cl1 Ni1 P1 C21 -52.12(12) y
C3A Ni1 P1 C21 168.00(15) y
C7A Ni1 P1 C21 -169.54(19) y
C3 Ni1 P1 C31 7.81(18) y
C2 Ni1 P1 C31 -28.6(2) y
C1 Ni1 P1 C31 -23.0(6) y
Cl1 Ni1 P1 C31 -174.04(13) y
C3A Ni1 P1 C31 46.08(17) y
C7A Ni1 P1 C31 68.5(2) y
C3 Ni1 P1 C11 -112.84(17) y
C2 Ni1 P1 C11 -149.3(2) y
C1 Ni1 P1 C11 -143.6(6) y
Cl1 Ni1 P1 C11 65.31(12) y
C3A Ni1 P1 C11 -74.57(16) y
C7A Ni1 P1 C11 -52.1(2) y
C21 P1 C11 C16 27.7(3) y
C31 P1 C11 C16 137.0(3) y
Ni1 P1 C11 C16 -92.0(3) y
C21 P1 C11 C12 152.2(2) y
C31 P1 C11 C12 -98.5(3) y
Ni1 P1 C11 C12 32.5(3) y
C16 C11 C12 C13 -55.9(4) y
P1 C11 C12 C13 176.0(3) y
C11 C12 C13 C14 56.1(5) y
C12 C13 C14 C15 -55.2(5) y
C13 C14 C15 C16 55.1(5) y
C12 C11 C16 C15 55.5(4) y
P1 C11 C16 C15 179.9(3) y
C14 C15 C16 C11 -55.9(5) y
C31 P1 C21 C26 91.4(3) y
C11 P1 C21 C26 -161.6(2) y
Ni1 P1 C21 C26 -39.7(3) y
C31 P1 C21 C22 -38.8(3) y
C11 P1 C21 C22 68.2(3) y
Ni1 P1 C21 C22 -169.8(2) y
C26 C21 C22 C23 56.9(4) y
P1 C21 C22 C23 -171.1(2) y
C21 C22 C23 C24 -57.1(4) y
C22 C23 C24 C25 55.7(4) y
C23 C24 C25 C26 -55.1(5) y
C24 C25 C26 C21 55.0(4) y
C22 C21 C26 C25 -55.5(4) y
P1 C21 C26 C25 171.9(3) y
C21 P1 C31 C32 167.1(2) y
C11 P1 C31 C32 57.2(3) y
Ni1 P1 C31 C32 -68.9(3) y
C21 P1 C31 C36 -64.9(3) y
C11 P1 C31 C36 -174.8(3) y
Ni1 P1 C31 C36 59.2(3) y
C36 C31 C32 C33 54.6(4) y
P1 C31 C32 C33 -176.5(2) y
C31 C32 C33 C34 -55.0(4) y
C32 C33 C34 C35 55.0(4) y
C33 C34 C35 C36 -55.0(5) y
C32 C31 C36 C35 -54.7(4) y
P1 C31 C36 C35 175.6(3) y
C34 C35 C36 C31 55.1(5) y
C53 Ni2 C51 C52 -39.2(2) y
Cl2 Ni2 C51 C52 140.2(2) y
P2 Ni2 C51 C52 -23.2(6) y
C53A Ni2 C51 C52 -80.7(2) y
C57A Ni2 C51 C52 -113.0(3) y
C53 Ni2 C51 C57A 73.8(2) y
C52 Ni2 C51 C57A 113.0(3) y
Cl2 Ni2 C51 C57A -106.76(19) y
P2 Ni2 C51 C57A 89.8(5) y
C53A Ni2 C51 C57A 32.27(18) y
C53 Ni2 C51 C58 -159.9(4) y
C52 Ni2 C51 C58 -120.8(4) y
Cl2 Ni2 C51 C58 19.4(3) y
P2 Ni2 C51 C58 -144.0(4) y
C53A Ni2 C51 C58 158.5(4) y
C57A Ni2 C51 C58 126.2(4) y
C57A C51 C52 C53 -10.7(4) y
C58 C51 C52 C53 177.1(3) y
Ni2 C51 C52 C53 61.7(2) y
C57A C51 C52 Ni2 -72.4(2) y
C58 C51 C52 Ni2 115.4(4) y
C53 Ni2 C52 C51 117.1(3) y
Cl2 Ni2 C52 C51 -49.7(3) y
P2 Ni2 C52 C51 173.98(17) y
C53A Ni2 C52 C51 77.7(2) y
C57A Ni2 C52 C51 38.7(2) y
C51 Ni2 C52 C53 -117.1(3) y
Cl2 Ni2 C52 C53 -166.72(17) y
P2 Ni2 C52 C53 56.9(2) y
C53A Ni2 C52 C53 -39.4(2) y
C57A Ni2 C52 C53 -78.4(2) y
C51 C52 C53 C53A 12.1(4) y
Ni2 C52 C53 C53A 76.9(2) y
C51 C52 C53 Ni2 -64.8(2) y
C51 Ni2 C53 C52 37.9(2) y
Cl2 Ni2 C53 C52 36.0(5) y
P2 Ni2 C53 C52 -138.86(19) y
C53A Ni2 C53 C52 111.7(3) y
C57A Ni2 C53 C52 78.6(2) y
C52 Ni2 C53 C53A -111.7(3) y
C51 Ni2 C53 C53A -73.9(2) y
Cl2 Ni2 C53 C53A -75.7(4) y
P2 Ni2 C53 C53A 109.39(19) y
C57A Ni2 C53 C53A -33.14(18) y
C52 C53 C53A C54 172.4(4) y
Ni2 C53 C53A C54 -120.8(4) y
C52 C53 C53A C57A -8.5(4) y
Ni2 C53 C53A C57A 58.3(2) y
C52 C53 C53A Ni2 -66.8(2) y
C53 Ni2 C53A C54 121.4(5) y
C52 Ni2 C53A C54 164.1(4) y
C51 Ni2 C53A C54 -151.5(4) y
Cl2 Ni2 C53A C54 -85.0(4) y
P2 Ni2 C53A C54 39.1(4) y
C57A Ni2 C53A C54 -117.1(5) y
C53 Ni2 C53A C57A -121.5(3) y
C52 Ni2 C53A C57A -78.9(2) y
C51 Ni2 C53A C57A -34.45(19) y
Cl2 Ni2 C53A C57A 32.1(2) y
P2 Ni2 C53A C57A 156.20(17) y
C52 Ni2 C53A C53 42.7(2) y
C51 Ni2 C53A C53 87.1(2) y
Cl2 Ni2 C53A C53 153.60(19) y
P2 Ni2 C53A C53 -82.3(2) y
C57A Ni2 C53A C53 121.5(3) y
C57A C53A C54 C55 -0.4(5) y
C53 C53A C54 C55 178.6(4) y
Ni2 C53A C54 C55 95.6(4) y
C53A C54 C55 C56 -1.2(6) y
C54 C55 C56 C57 1.1(6) y
C55 C56 C57 C57A 0.8(6) y
C56 C57 C57A C53A -2.3(5) y
C56 C57 C57A C51 179.0(3) y
C56 C57 C57A Ni2 -94.6(4) y
C54 C53A C57A C57 2.2(5) y
C53 C53A C57A C57 -177.0(3) y
Ni2 C53A C57A C57 -128.3(3) y
C54 C53A C57A C51 -178.8(3) y
C53 C53A C57A C51 1.9(4) y
Ni2 C53A C57A C51 50.7(2) y
C54 C53A C57A Ni2 130.5(3) y
C53 C53A C57A Ni2 -48.7(2) y
C52 C51 C57A C57 -175.9(3) y
C58 C51 C57A C57 -3.4(6) y
Ni2 C51 C57A C57 122.1(4) y
C52 C51 C57A C53A 5.3(4) y
C58 C51 C57A C53A 177.8(3) y
Ni2 C51 C57A C53A -56.7(2) y
C52 C51 C57A Ni2 62.0(2) y
C58 C51 C57A Ni2 -125.5(4) y
C53 Ni2 C57A C57 150.7(4) y
C52 Ni2 C57A C57 -163.0(4) y
C51 Ni2 C57A C57 -121.7(4) y
Cl2 Ni2 C57A C57 -42.4(4) y
P2 Ni2 C57A C57 77.4(4) y
C53A Ni2 C57A C57 114.6(4) y
C53 Ni2 C57A C53A 36.1(2) y
C52 Ni2 C57A C53A 82.4(2) y
C51 Ni2 C57A C53A 123.6(3) y
Cl2 Ni2 C57A C53A -157.09(18) y
P2 Ni2 C57A C53A -37.2(3) y
C53 Ni2 C57A C51 -87.5(2) y
C52 Ni2 C57A C51 -41.2(2) y
Cl2 Ni2 C57A C51 79.3(2) y
P2 Ni2 C57A C51 -160.84(18) y
C53A Ni2 C57A C51 -123.6(3) y
C53 Ni2 P2 C71 135.05(16) y
C52 Ni2 P2 C71 101.22(19) y
C51 Ni2 P2 C71 120.2(5) y
Cl2 Ni2 P2 C71 -43.27(12) y
C53A Ni2 P2 C71 173.12(15) y
C57A Ni2 P2 C71 -165.33(17) y
C53 Ni2 P2 C81 -107.79(17) y
C52 Ni2 P2 C81 -141.62(19) y
C51 Ni2 P2 C81 -122.7(5) y
Cl2 Ni2 P2 C81 73.89(13) y
C53A Ni2 P2 C81 -69.71(16) y
C57A Ni2 P2 C81 -48.17(19) y
C53 Ni2 P2 C61 10.99(17) y
C52 Ni2 P2 C61 -22.8(2) y
C51 Ni2 P2 C61 -3.9(5) y
Cl2 Ni2 P2 C61 -167.32(12) y
C53A Ni2 P2 C61 49.07(16) y
C57A Ni2 P2 C61 70.61(18) y
C71 P2 C61 C62 73.0(3) y
C81 P2 C61 C62 -37.9(3) y
Ni2 P2 C61 C62 -163.0(3) y
C71 P2 C61 C66 -55.8(3) y
C81 P2 C61 C66 -166.7(2) y
Ni2 P2 C61 C66 68.2(3) y
C66 C61 C62 C63 -57.5(4) y
P2 C61 C62 C63 173.0(3) y
C61 C62 C63 C64 57.2(5) y
C62 C63 C64 C65 -56.4(5) y
C63 C64 C65 C66 55.9(5) y
C64 C65 C66 C61 -56.5(4) y
C62 C61 C66 C65 57.7(4) y
P2 C61 C66 C65 -169.6(2) y
C81 P2 C71 C76 -170.2(3) y
C61 P2 C71 C76 79.6(3) y
Ni2 P2 C71 C76 -46.8(3) y
C81 P2 C71 C72 58.9(3) y
C61 P2 C71 C72 -51.2(3) y
Ni2 P2 C71 C72 -177.6(2) y
C76 C71 C72 C73 56.5(5) y
P2 C71 C72 C73 -171.3(3) y
C71 C72 C73 C74 -56.7(6) y
C72 C73 C74 C75 56.6(7) y
C73 C74 C75 C76 -56.7(6) y
C74 C75 C76 C71 56.3(5) y
C72 C71 C76 C75 -55.5(5) y
P2 C71 C76 C75 170.6(3) y
C71 P2 C81 C82 178.6(3) y
C61 P2 C81 C82 -66.4(3) y
Ni2 P2 C81 C82 58.3(3) y
C71 P2 C81 C86 54.5(3) y
C61 P2 C81 C86 169.5(3) y
Ni2 P2 C81 C86 -65.8(3) y
C86 C81 C82 C83 -56.7(4) y
P2 C81 C82 C83 176.8(3) y
C81 C82 C83 C84 57.3(5) y
C82 C83 C84 C85 -56.4(5) y
C83 C84 C85 C86 56.6(5) y
C84 C85 C86 C81 -56.1(5) y
C82 C81 C86 C85 55.6(5) y
P2 C81 C86 C85 179.9(3) y
