#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/54/4075449.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_4075449
loop_
_publ_author_name
'Benito-Garagorri, David'
'Bocokić, Vladica'
'Mereiter, Kurt'
'Kirchner, Karl'
_publ_section_title
;
 A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and
 Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3817
_journal_paper_doi               10.1021/om060289e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C30 H25 Cl N2 Ni P2, 0.5(C6 H6)'
_chemical_formula_sum            'C33 H28 Cl N2 Ni P2'
_chemical_formula_weight         608.67
_chemical_name_common            '[NiCl(PCP-Ph)]+0.5C6H6'
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.619(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3016(5)
_cell_length_b                   21.4580(12)
_cell_length_c                   15.0813(8)
_cell_measurement_reflns_used    2592
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      21.35
_cell_measurement_theta_min      2.34
_cell_volume                     2967.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '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  0.0738
_diffrn_reflns_av_sigmaI/netI    0.1051
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20760
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.42
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.877
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'program SADABS V2.10'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1260
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.759
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         7147
_refine_ls_number_restraints     109
_refine_ls_restrained_S_all      0.757
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0391
_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)+(0.0232P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0788
_reflns_number_gt                3374
_reflns_number_total             7147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060289esi20060403_031419.cif
_cod_data_source_block           4a-1088
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4075449
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
Ni Ni 0.28648(4) 0.174398(16) 0.33778(2) 0.04287(11) Uani 1 1 d U
Cl Cl 0.17079(8) 0.20240(4) 0.20335(5) 0.0608(2) Uani 1 1 d U
P1 P 0.18172(8) 0.24128(3) 0.41485(5) 0.0493(2) Uani 1 1 d U
P2 P 0.41494(8) 0.10068(3) 0.28986(5) 0.0467(2) Uani 1 1 d U
N1 N 0.2519(3) 0.22439(11) 0.52097(16) 0.0661(7) Uani 1 1 d U
H1N H 0.2254 0.2432 0.5659 0.079 Uiso 1 1 calc R
N2 N 0.5089(2) 0.07079(10) 0.38431(16) 0.0564(6) Uani 1 1 d U
H2N H 0.5685 0.0401 0.3842 0.068 Uiso 1 1 calc R
C1 C 0.3820(3) 0.14824(12) 0.45257(18) 0.0431(6) Uani 1 1 d U
C2 C 0.3567(3) 0.17746(13) 0.5314(2) 0.0506(7) Uani 1 1 d U
C3 C 0.4312(3) 0.16056(14) 0.6157(2) 0.0654(9) Uani 1 1 d U
H3 H 0.4150 0.1817 0.6669 0.078 Uiso 1 1 calc R
C4 C 0.5291(3) 0.11225(15) 0.6222(2) 0.0685(9) Uani 1 1 d U
H4 H 0.5784 0.1006 0.6786 0.082 Uiso 1 1 calc R
C5 C 0.5559(3) 0.08068(13) 0.5472(2) 0.0591(8) Uani 1 1 d U
H5 H 0.6212 0.0475 0.5524 0.071 Uiso 1 1 calc R
C6 C 0.4834(3) 0.09945(12) 0.4638(2) 0.0477(7) Uani 1 1 d U
C7 C -0.0160(3) 0.23967(12) 0.4061(2) 0.0532(7) Uani 1 1 d U
C8 C -0.1013(3) 0.26194(14) 0.3295(3) 0.0709(9) Uani 1 1 d U
H8 H -0.0571 0.2773 0.2830 0.085 Uiso 1 1 calc R
C9 C -0.2521(4) 0.26193(16) 0.3203(3) 0.0899(11) Uani 1 1 d U
H9 H -0.3087 0.2771 0.2681 0.108 Uiso 1 1 calc R
C10 C -0.3157(4) 0.23968(19) 0.3879(3) 0.1019(15) Uani 1 1 d U
H10 H -0.4168 0.2398 0.3818 0.122 Uiso 1 1 calc R
C11 C -0.2363(4) 0.21739(18) 0.4636(3) 0.1002(14) Uani 1 1 d U
H11 H -0.2824 0.2022 0.5094 0.120 Uiso 1 1 calc R
C12 C -0.0848(4) 0.21701(14) 0.4737(3) 0.0819(10) Uani 1 1 d U
H12 H -0.0298 0.2014 0.5262 0.098 Uiso 1 1 calc R
C13 C 0.2137(3) 0.32391(13) 0.4023(2) 0.0519(7) Uani 1 1 d U
C14 C 0.2771(4) 0.34621(15) 0.3333(3) 0.0850(11) Uani 1 1 d U
H14 H 0.3044 0.3185 0.2917 0.102 Uiso 1 1 calc R
C15 C 0.3016(5) 0.40954(18) 0.3244(3) 0.1156(15) Uani 1 1 d U
H15 H 0.3437 0.4242 0.2766 0.139 Uiso 1 1 calc R
C16 C 0.2637(4) 0.45006(17) 0.3859(3) 0.1026(14) Uani 1 1 d U
H16 H 0.2818 0.4924 0.3809 0.123 Uiso 1 1 calc R
C17 C 0.1995(4) 0.42879(16) 0.4547(3) 0.0845(11) Uani 1 1 d U
H17 H 0.1732 0.4567 0.4964 0.101 Uiso 1 1 calc R
C18 C 0.1733(3) 0.36604(14) 0.4628(2) 0.0659(9) Uani 1 1 d U
H18 H 0.1280 0.3519 0.5095 0.079 Uiso 1 1 calc R
C19 C 0.3156(3) 0.03550(13) 0.2326(2) 0.0613(8) Uani 1 1 d U
C20 C 0.1912(4) 0.01696(18) 0.2634(3) 0.1215(16) Uani 1 1 d U
H20 H 0.1570 0.0393 0.3084 0.146 Uiso 1 1 calc R
C21 C 0.1168(5) -0.0362(2) 0.2258(5) 0.173(3) Uani 1 1 d U
H21 H 0.0311 -0.0485 0.2450 0.208 Uiso 1 1 calc R
C22 C 0.1684(6) -0.0693(2) 0.1625(5) 0.161(3) Uani 1 1 d U
H22 H 0.1194 -0.1050 0.1392 0.193 Uiso 1 1 calc R
C23 C 0.2903(6) -0.05145(18) 0.1325(3) 0.1261(17) Uani 1 1 d U
H23 H 0.3241 -0.0741 0.0877 0.151 Uiso 1 1 calc R
C24 C 0.3652(4) 0.00078(14) 0.1687(2) 0.0854(11) Uani 1 1 d U
H24 H 0.4509 0.0123 0.1489 0.102 Uiso 1 1 calc R
C25 C 0.5493(3) 0.11973(12) 0.2191(2) 0.0488(7) Uani 1 1 d U
C26 C 0.5037(4) 0.14471(16) 0.1355(2) 0.0789(11) Uani 1 1 d U
H26 H 0.4048 0.1515 0.1157 0.095 Uiso 1 1 calc R
C27 C 0.6023(4) 0.15974(18) 0.0808(3) 0.1006(13) Uani 1 1 d U
H27 H 0.5703 0.1769 0.0243 0.121 Uiso 1 1 calc R
C28 C 0.7474(4) 0.14957(17) 0.1094(3) 0.0921(12) Uani 1 1 d U
H28 H 0.8139 0.1593 0.0718 0.111 Uiso 1 1 calc R
C29 C 0.7956(4) 0.12540(16) 0.1919(3) 0.0809(11) Uani 1 1 d U
H29 H 0.8948 0.1189 0.2110 0.097 Uiso 1 1 calc R
C30 C 0.6956(3) 0.11016(13) 0.2484(2) 0.0627(8) Uani 1 1 d U
H30 H 0.7280 0.0937 0.3052 0.075 Uiso 1 1 calc R
C1S C -0.1093(8) -0.0071(3) 0.4395(6) 0.270(5) Uani 1 1 d U
H1S H -0.1864 -0.0087 0.3915 0.323 Uiso 1 1 calc R
C2S C -0.0450(12) 0.0474(3) 0.4633(6) 0.308(6) Uani 1 1 d U
H2S H -0.0878 0.0831 0.4354 0.369 Uiso 1 1 calc R
C3S C 0.0685(6) 0.0544(2) 0.5205(5) 0.143(2) Uani 1 1 d U
H3S H 0.1166 0.0924 0.5311 0.171 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'
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
C1 Ni P1 83.73(8) .
C1 Ni P2 83.59(8) .
P1 Ni P2 167.32(3) .
C1 Ni Cl 178.28(8) .
P1 Ni Cl 96.75(3) .
P2 Ni Cl 95.91(3) .
N1 P1 C13 105.58(13) .
N1 P1 C7 107.11(14) .
C13 P1 C7 101.09(12) .
N1 P1 Ni 103.37(8) .
C13 P1 Ni 119.53(10) .
C7 P1 Ni 119.04(9) .
N2 P2 C19 105.21(13) .
N2 P2 C25 105.88(13) .
C19 P2 C25 103.85(14) .
N2 P2 Ni 103.53(9) .
C19 P2 Ni 116.99(10) .
C25 P2 Ni 120.00(9) .
C2 N1 P1 114.90(19) .
C2 N1 H1N 122.6 .
P1 N1 H1N 122.6 .
C6 N2 P2 114.92(19) .
C6 N2 H2N 122.5 .
P2 N2 H2N 122.5 .
C2 C1 C6 116.0(3) .
C2 C1 Ni 121.6(2) .
C6 C1 Ni 122.4(2) .
C3 C2 N1 121.7(3) .
C3 C2 C1 122.1(3) .
N1 C2 C1 116.3(3) .
C4 C3 C2 119.1(3) .
C4 C3 H3 120.4 .
C2 C3 H3 120.4 .
C3 C4 C5 121.4(3) .
C3 C4 H4 119.3 .
C5 C4 H4 119.3 .
C4 C5 C6 118.4(3) .
C4 C5 H5 120.8 .
C6 C5 H5 120.8 .
C5 C6 C1 122.9(3) .
C5 C6 N2 121.5(3) .
C1 C6 N2 115.6(3) .
C8 C7 C12 118.0(3) .
C8 C7 P1 119.2(2) .
C12 C7 P1 122.7(3) .
C7 C8 C9 121.1(3) .
C7 C8 H8 119.4 .
C9 C8 H8 119.4 .
C10 C9 C8 119.2(4) .
C10 C9 H9 120.4 .
C8 C9 H9 120.4 .
C11 C10 C9 121.5(4) .
C11 C10 H10 119.3 .
C9 C10 H10 119.3 .
C10 C11 C12 119.9(4) .
C10 C11 H11 120.1 .
C12 C11 H11 120.1 .
C7 C12 C11 120.2(4) .
C7 C12 H12 119.9 .
C11 C12 H12 119.9 .
C14 C13 C18 118.3(3) .
C14 C13 P1 121.5(2) .
C18 C13 P1 120.2(2) .
C13 C14 C15 121.0(3) .
C13 C14 H14 119.5 .
C15 C14 H14 119.5 .
C16 C15 C14 119.6(4) .
C16 C15 H15 120.2 .
C14 C15 H15 120.2 .
C17 C16 C15 120.2(4) .
C17 C16 H16 119.9 .
C15 C16 H16 119.9 .
C16 C17 C18 120.2(4) .
C16 C17 H17 119.9 .
C18 C17 H17 119.9 .
C17 C18 C13 120.7(3) .
C17 C18 H18 119.7 .
C13 C18 H18 119.7 .
C24 C19 C20 119.0(3) .
C24 C19 P2 123.6(3) .
C20 C19 P2 117.0(3) .
C19 C20 C21 119.0(5) .
C19 C20 H20 120.5 .
C21 C20 H20 120.5 .
C22 C21 C20 120.4(5) .
C22 C21 H21 119.8 .
C20 C21 H21 119.8 .
C21 C22 C23 120.7(5) .
C21 C22 H22 119.7 .
C23 C22 H22 119.7 .
C22 C23 C24 119.8(5) .
C22 C23 H23 120.1 .
C24 C23 H23 120.1 .
C19 C24 C23 121.0(4) .
C19 C24 H24 119.5 .
C23 C24 H24 119.5 .
C26 C25 C30 119.5(3) .
C26 C25 P2 119.3(2) .
C30 C25 P2 121.2(2) .
C25 C26 C27 120.7(3) .
C25 C26 H26 119.7 .
C27 C26 H26 119.7 .
C28 C27 C26 119.9(4) .
C28 C27 H27 120.0 .
C26 C27 H27 120.0 .
C29 C28 C27 120.7(4) .
C29 C28 H28 119.7 .
C27 C28 H28 119.7 .
C28 C29 C30 119.8(3) .
C28 C29 H29 120.1 .
C30 C29 H29 120.1 .
C25 C30 C29 119.5(3) .
C25 C30 H30 120.3 .
C29 C30 H30 120.3 .
C3S C1S C2S 120.8(6) 3_556
C3S C1S H1S 119.6 3_556
C2S C1S H1S 119.6 .
C3S C2S C1S 125.3(7) .
C3S C2S H2S 117.4 .
C1S C2S H2S 117.4 .
C1S C3S C2S 113.6(6) 3_556
C1S C3S H3S 123.2 3_556
C2S C3S H3S 123.2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni C1 1.894(3) .
Ni P1 2.1768(8) .
Ni P2 2.1774(8) .
Ni Cl 2.2137(8) .
P1 N1 1.664(2) .
P1 C13 1.813(3) .
P1 C7 1.822(3) .
P2 N2 1.670(2) .
P2 C19 1.813(3) .
P2 C25 1.821(3) .
N1 C2 1.392(3) .
N1 H1N 0.8600 .
N2 C6 1.402(3) .
N2 H2N 0.8600 .
C1 C2 1.399(4) .
C1 C6 1.400(3) .
C2 C3 1.390(4) .
C3 C4 1.372(4) .
C3 H3 0.9300 .
C4 C5 1.377(4) .
C4 H4 0.9300 .
C5 C6 1.384(4) .
C5 H5 0.9300 .
C7 C8 1.374(4) .
C7 C12 1.380(4) .
C8 C9 1.386(4) .
C8 H8 0.9300 .
C9 C10 1.349(5) .
C9 H9 0.9300 .
C10 C11 1.341(5) .
C10 H10 0.9300 .
C11 C12 1.392(4) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.365(4) .
C13 C18 1.381(4) .
C14 C15 1.388(4) .
C14 H14 0.9300 .
C15 C16 1.361(5) .
C15 H15 0.9300 .
C16 C17 1.359(5) .
C16 H16 0.9300 .
C17 C18 1.377(4) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.359(4) .
C19 C20 1.375(4) .
C20 C21 1.403(6) .
C20 H20 0.9300 .
C21 C22 1.342(7) .
C21 H21 0.9300 .
C22 C23 1.345(7) .
C22 H22 0.9300 .
C23 C24 1.383(5) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.370(4) .
C25 C30 1.374(4) .
C26 C27 1.371(4) .
C26 H26 0.9300 .
C27 C28 1.364(5) .
C27 H27 0.9300 .
C28 C29 1.353(5) .
C28 H28 0.9300 .
C29 C30 1.401(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C1S C3S 1.210(7) 3_556
C1S C2S 1.335(7) .
C1S H1S 0.9300 .
C2S C3S 1.256(7) .
C2S H2S 0.9300 .
C3S C1S 1.210(7) 3_556
C3S H3S 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N Cl 0.86 2.50 3.361(2) 175.1 4_566
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_4
C1 Ni P1 N1 -0.89(12) . .
P2 Ni P1 N1 -0.07(19) . .
Cl Ni P1 N1 177.46(9) . .
C1 Ni P1 C13 115.99(13) . .
P2 Ni P1 C13 116.80(17) . .
Cl Ni P1 C13 -65.67(11) . .
C1 Ni P1 C7 -119.44(14) . .
P2 Ni P1 C7 -118.63(18) . .
Cl Ni P1 C7 58.90(12) . .
C1 Ni P2 N2 0.31(11) . .
P1 Ni P2 N2 -0.50(18) . .
Cl Ni P2 N2 -178.03(9) . .
C1 Ni P2 C19 115.49(14) . .
P1 Ni P2 C19 114.68(18) . .
Cl Ni P2 C19 -62.85(13) . .
C1 Ni P2 C25 -117.33(14) . .
P1 Ni P2 C25 -118.14(18) . .
Cl Ni P2 C25 64.33(12) . .
C13 P1 N1 C2 -123.5(2) . .
C7 P1 N1 C2 129.4(2) . .
Ni P1 N1 C2 2.8(2) . .
C19 P2 N2 C6 -124.0(2) . .
C25 P2 N2 C6 126.44(19) . .
Ni P2 N2 C6 -0.7(2) . .
P1 Ni C1 C2 -1.2(2) . .
P2 Ni C1 C2 179.0(2) . .
P1 Ni C1 C6 179.9(2) . .
P2 Ni C1 C6 0.0(2) . .
P1 N1 C2 C3 176.3(2) . .
P1 N1 C2 C1 -4.0(3) . .
C6 C1 C2 C3 2.1(4) . .
Ni C1 C2 C3 -176.9(2) . .
C6 C1 C2 N1 -177.6(2) . .
Ni C1 C2 N1 3.4(3) . .
N1 C2 C3 C4 177.4(3) . .
C1 C2 C3 C4 -2.3(4) . .
C2 C3 C4 C5 0.6(5) . .
C3 C4 C5 C6 1.1(5) . .
C4 C5 C6 C1 -1.3(4) . .
C4 C5 C6 N2 177.9(3) . .
C2 C1 C6 C5 -0.3(4) . .
Ni C1 C6 C5 178.8(2) . .
C2 C1 C6 N2 -179.5(2) . .
Ni C1 C6 N2 -0.5(3) . .
P2 N2 C6 C5 -178.5(2) . .
P2 N2 C6 C1 0.7(3) . .
N1 P1 C7 C8 169.3(2) . .
C13 P1 C7 C8 59.1(3) . .
Ni P1 C7 C8 -74.1(2) . .
N1 P1 C7 C12 -10.5(3) . .
C13 P1 C7 C12 -120.8(3) . .
Ni P1 C7 C12 106.1(2) . .
C12 C7 C8 C9 0.2(5) . .
P1 C7 C8 C9 -179.6(2) . .
C7 C8 C9 C10 0.1(5) . .
C8 C9 C10 C11 -0.2(6) . .
C9 C10 C11 C12 0.1(7) . .
C8 C7 C12 C11 -0.4(5) . .
P1 C7 C12 C11 179.5(3) . .
C10 C11 C12 C7 0.2(6) . .
N1 P1 C13 C14 129.2(3) . .
C7 P1 C13 C14 -119.4(3) . .
Ni P1 C13 C14 13.4(3) . .
N1 P1 C13 C18 -51.1(3) . .
C7 P1 C13 C18 60.3(3) . .
Ni P1 C13 C18 -166.9(2) . .
C18 C13 C14 C15 0.5(5) . .
P1 C13 C14 C15 -179.8(3) . .
C13 C14 C15 C16 0.9(6) . .
C14 C15 C16 C17 -1.3(7) . .
C15 C16 C17 C18 0.4(6) . .
C16 C17 C18 C13 1.0(5) . .
C14 C13 C18 C17 -1.4(5) . .
P1 C13 C18 C17 178.9(2) . .
N2 P2 C19 C24 -94.1(3) . .
C25 P2 C19 C24 16.9(3) . .
Ni P2 C19 C24 151.6(3) . .
N2 P2 C19 C20 78.7(3) . .
C25 P2 C19 C20 -170.2(3) . .
Ni P2 C19 C20 -35.5(3) . .
C24 C19 C20 C21 -2.0(6) . .
P2 C19 C20 C21 -175.2(4) . .
C19 C20 C21 C22 1.7(9) . .
C20 C21 C22 C23 -1.5(10) . .
C21 C22 C23 C24 1.5(9) . .
C20 C19 C24 C23 2.0(6) . .
P2 C19 C24 C23 174.7(3) . .
C22 C23 C24 C19 -1.7(7) . .
N2 P2 C25 C26 179.2(2) . .
C19 P2 C25 C26 68.6(3) . .
Ni P2 C25 C26 -64.4(3) . .
N2 P2 C25 C30 -1.5(3) . .
C19 P2 C25 C30 -112.1(2) . .
Ni P2 C25 C30 114.9(2) . .
C30 C25 C26 C27 0.5(5) . .
P2 C25 C26 C27 179.8(3) . .
C25 C26 C27 C28 0.3(6) . .
C26 C27 C28 C29 -0.8(7) . .
C27 C28 C29 C30 0.5(6) . .
C26 C25 C30 C29 -0.8(5) . .
P2 C25 C30 C29 180.0(2) . .
C28 C29 C30 C25 0.3(5) . .
C3S C1S C2S C3S 7.6(19) 3_556 .
C1S C2S C3S C1S -7.1(18) . 3_556
