#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:08:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178738 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/49/4084987.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_4084987
loop_
_publ_author_name
'Ghisolfi, Alessio'
'Condello, Francesca'
'Fliedel, Christophe'
'Rosa, Vitor'
'Braunstein, Pierre'
_publ_section_title
;
 Facile and Room-Temperature Activation of Csp3--Cl Bonds by Cheap and
 Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2255
_journal_paper_doi               10.1021/om501004d
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C58 H62 N2 Ni P4 S2, 2(B F4)'
_chemical_formula_sum            'C58 H62 B2 F8 N2 Ni P4 S2'
_chemical_formula_weight         1207.43
_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                 102.1110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2014(4)
_cell_length_b                   17.5859(6)
_cell_length_c                   18.0179(7)
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.01
_cell_measurement_theta_min      2.59
_cell_volume                     2850.67(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28122
_diffrn_reflns_theta_full        32.03
_diffrn_reflns_theta_max         32.03
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    0.592
_exptl_absorpt_correction_T_max  0.8423
_exptl_absorpt_correction_T_min  0.7975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         9843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0448
_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)+(0.0361P)²+3.2691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                7495
_reflns_number_total             9843
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om501004d_si_002.cif
_cod_data_source_block           pbag120321
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4084985--4084988.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4084987
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
C1 C 0.30198(19) 0.00136(9) 0.93048(9) 0.0179(3) Uani 1 1 d .
H1A H 0.2734 -0.0510 0.9132 0.021 Uiso 1 1 calc R
H1B H 0.2268 0.0209 0.9578 0.021 Uiso 1 1 calc R
C2 C 0.7160(2) 0.11206(10) 0.91553(9) 0.0208(3) Uani 1 1 d .
C3 C 0.8167(2) 0.12949(11) 0.86962(11) 0.0269(4) Uani 1 1 d .
H3 H 0.8330 0.0945 0.8320 0.032 Uiso 1 1 calc R
C4 C 0.8928(2) 0.19816(12) 0.87942(13) 0.0341(4) Uani 1 1 d .
H4 H 0.9615 0.2101 0.8485 0.041 Uiso 1 1 calc R
C5 C 0.8690(3) 0.24918(12) 0.93396(14) 0.0378(5) Uani 1 1 d .
H5 H 0.9228 0.2957 0.9407 0.045 Uiso 1 1 calc R
C6 C 0.7681(3) 0.23350(11) 0.97873(12) 0.0328(4) Uani 1 1 d .
H6 H 0.7515 0.2692 1.0156 0.039 Uiso 1 1 calc R
C7 C 0.6908(2) 0.16496(10) 0.96946(10) 0.0238(3) Uani 1 1 d .
H7 H 0.6207 0.1540 0.9999 0.029 Uiso 1 1 calc R
C8 C 0.7181(2) -0.05159(10) 0.88423(9) 0.0199(3) Uani 1 1 d .
C9 C 0.6432(2) -0.11844(11) 0.85700(10) 0.0265(4) Uani 1 1 d .
H9 H 0.5376 -0.1193 0.8448 0.032 Uiso 1 1 calc R
C10 C 0.7229(3) -0.18345(12) 0.84780(12) 0.0345(5) Uani 1 1 d .
H10 H 0.6716 -0.2287 0.8290 0.041 Uiso 1 1 calc R
C11 C 0.8761(3) -0.18286(13) 0.86574(13) 0.0382(5) Uani 1 1 d .
H11 H 0.9301 -0.2274 0.8588 0.046 Uiso 1 1 calc R
C12 C 0.9510(2) -0.11752(13) 0.89374(14) 0.0367(5) Uani 1 1 d .
H12 H 1.0566 -0.1174 0.9063 0.044 Uiso 1 1 calc R
C13 C 0.8728(2) -0.05170(11) 0.90372(11) 0.0273(4) Uani 1 1 d .
H13 H 0.9249 -0.0071 0.9237 0.033 Uiso 1 1 calc R
C14 C 0.1614(2) 0.03852(10) 0.77075(9) 0.0213(3) Uani 1 1 d .
C15 C 0.1438(2) -0.03761(11) 0.74854(11) 0.0304(4) Uani 1 1 d .
H15 H 0.2098 -0.0751 0.7744 0.037 Uiso 1 1 calc R
C16 C 0.0293(3) -0.05824(14) 0.68849(13) 0.0413(5) Uani 1 1 d .
H16 H 0.0162 -0.1100 0.6736 0.050 Uiso 1 1 calc R
C17 C -0.0656(3) -0.00302(17) 0.65045(13) 0.0458(6) Uani 1 1 d .
H17 H -0.1431 -0.0172 0.6091 0.055 Uiso 1 1 calc R
C18 C -0.0488(3) 0.07184(16) 0.67211(13) 0.0456(6) Uani 1 1 d .
H18 H -0.1145 0.1092 0.6457 0.055 Uiso 1 1 calc R
C19 C 0.0642(2) 0.09329(13) 0.73258(11) 0.0330(4) Uani 1 1 d .
H19 H 0.0750 0.1451 0.7478 0.040 Uiso 1 1 calc R
C20 C 0.3040(2) 0.15807(9) 0.87679(9) 0.0216(3) Uani 1 1 d .
C21 C 0.3548(4) 0.21234(12) 0.83214(13) 0.0509(8) Uani 1 1 d .
H21 H 0.3824 0.1974 0.7863 0.061 Uiso 1 1 calc R
C22 C 0.3653(4) 0.28808(13) 0.85409(16) 0.0607(9) Uani 1 1 d .
H22 H 0.3995 0.3249 0.8231 0.073 Uiso 1 1 calc R
C23 C 0.3265(3) 0.30999(12) 0.92054(13) 0.0420(6) Uani 1 1 d .
H23 H 0.3314 0.3621 0.9349 0.050 Uiso 1 1 calc R
C24 C 0.2808(3) 0.25680(12) 0.96599(13) 0.0395(5) Uani 1 1 d .
H24 H 0.2570 0.2719 1.0126 0.047 Uiso 1 1 calc R
C25 C 0.2689(3) 0.18071(11) 0.94452(11) 0.0314(4) Uani 1 1 d .
H25 H 0.2366 0.1442 0.9764 0.038 Uiso 1 1 calc R
C26 C 0.4920(2) 0.06200(10) 0.75127(9) 0.0211(3) Uani 1 1 d .
H26A H 0.5716 0.1009 0.7591 0.025 Uiso 1 1 calc R
H26B H 0.4002 0.0861 0.7224 0.025 Uiso 1 1 calc R
C27 C 0.5353(2) -0.00238(11) 0.70409(10) 0.0276(4) Uani 1 1 d .
H27A H 0.4696 -0.0467 0.7057 0.033 Uiso 1 1 calc R
H27B H 0.6389 -0.0182 0.7254 0.033 Uiso 1 1 calc R
C28 C 0.5214(3) 0.02381(12) 0.62160(10) 0.0311(4) Uani 1 1 d .
H28A H 0.5711 -0.0140 0.5946 0.037 Uiso 1 1 calc R
H28B H 0.5747 0.0727 0.6216 0.037 Uiso 1 1 calc R
C29 C 0.2787(4) -0.06175(16) 0.55295(15) 0.0553(7) Uani 1 1 d .
H29A H 0.3428 -0.0859 0.5227 0.083 Uiso 1 1 calc R
H29B H 0.1750 -0.0643 0.5254 0.083 Uiso 1 1 calc R
H29C H 0.2891 -0.0883 0.6016 0.083 Uiso 1 1 calc R
N1 N 0.46650(16) 0.03770(8) 0.82700(7) 0.0182(3) Uani 1 1 d .
B1 B 0.3003(4) 0.73983(17) 0.3157(2) 0.0505(8) Uani 1 1 d .
F1 F 0.30991(18) 0.67595(7) 0.36020(8) 0.0430(3) Uani 1 1 d .
F2 F 0.1519(2) 0.75791(15) 0.29111(13) 0.0904(8) Uani 1 1 d .
F3 F 0.3648(3) 0.72527(19) 0.25574(14) 0.1250(13) Uani 1 1 d .
F4 F 0.3699(4) 0.79742(14) 0.3574(2) 0.1632(16) Uani 1 1 d .
P1 P 0.60565(5) 0.02628(2) 0.90611(2) 0.01659(8) Uani 1 1 d .
P2 P 0.30584(5) 0.05925(2) 0.85173(2) 0.01689(8) Uani 1 1 d .
S1 S 0.33233(7) 0.03600(3) 0.56983(3) 0.03772(13) Uani 1 1 d .
Ni1 Ni 0.5000 0.0000 1.0000 0.01544(7) Uani 1 2 d S
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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
P2 C1 Ni1 110.27(9) . .
P2 C1 H1A 109.6 . .
Ni1 C1 H1A 109.6 . .
P2 C1 H1B 109.6 . .
Ni1 C1 H1B 109.6 . .
H1A C1 H1B 108.1 . .
C7 C2 C3 119.43(17) . .
C7 C2 P1 116.67(14) . .
C3 C2 P1 123.80(14) . .
C4 C3 C2 119.60(19) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C5 C4 C3 120.3(2) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C6 C5 C4 120.84(19) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 119.5(2) . .
C5 C6 H6 120.2 . .
C7 C6 H6 120.2 . .
C6 C7 C2 120.29(18) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
C13 C8 C9 119.31(17) . .
C13 C8 P1 123.17(14) . .
C9 C8 P1 116.79(14) . .
C10 C9 C8 120.05(19) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C11 C10 C9 120.4(2) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C10 C11 C12 120.0(2) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C11 C12 C13 120.4(2) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C8 C13 C12 119.77(19) . .
C8 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C19 C14 C15 119.80(17) . .
C19 C14 P2 123.40(15) . .
C15 C14 P2 116.72(13) . .
C16 C15 C14 119.76(19) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C17 C16 C15 119.8(2) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C18 C17 C16 120.6(2) . .
C18 C17 H17 119.7 . .
C16 C17 H17 119.7 . .
C17 C18 C19 120.3(2) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C18 C19 C14 119.7(2) . .
C18 C19 H19 120.1 . .
C14 C19 H19 120.1 . .
C25 C20 C21 118.77(17) . .
C25 C20 P2 121.05(14) . .
C21 C20 P2 119.78(14) . .
C22 C21 C20 120.4(2) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C23 C22 C21 120.1(2) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C24 C23 C22 119.9(2) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C25 120.5(2) . .
C23 C24 H24 119.7 . .
C25 C24 H24 119.7 . .
C20 C25 C24 120.16(19) . .
C20 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
N1 C26 C27 114.07(14) . .
N1 C26 H26A 108.7 . .
C27 C26 H26A 108.7 . .
N1 C26 H26B 108.7 . .
C27 C26 H26B 108.7 . .
H26A C26 H26B 107.6 . .
C26 C27 C28 109.87(16) . .
C26 C27 H27A 109.7 . .
C28 C27 H27A 109.7 . .
C26 C27 H27B 109.7 . .
C28 C27 H27B 109.7 . .
H27A C27 H27B 108.2 . .
C27 C28 S1 114.28(15) . .
C27 C28 H28A 108.7 . .
S1 C28 H28A 108.7 . .
C27 C28 H28B 108.7 . .
S1 C28 H28B 108.7 . .
H28A C28 H28B 107.6 . .
S1 C29 H29A 109.5 . .
S1 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
S1 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C26 N1 P2 119.66(11) . .
C26 N1 P1 123.97(12) . .
P2 N1 P1 110.61(8) . .
F4 B1 F3 110.6(3) . .
F4 B1 F1 109.0(3) . .
F3 B1 F1 109.0(3) . .
F4 B1 F2 109.2(3) . .
F3 B1 F2 110.8(3) . .
F1 B1 F2 108.3(2) . .
N1 P1 C2 106.68(7) . .
N1 P1 C8 105.58(7) . .
C2 P1 C8 108.48(8) . .
N1 P1 Ni1 107.10(5) . .
C2 P1 Ni1 116.07(6) . .
C8 P1 Ni1 112.26(6) . .
N1 P2 C1 104.65(7) . .
N1 P2 C14 106.40(8) . .
C1 P2 C14 113.79(8) . .
N1 P2 C20 109.94(8) . .
C1 P2 C20 110.83(8) . .
C14 P2 C20 110.91(8) . .
C29 S1 C28 100.05(13) . .
C1 Ni1 C1 180.0 3_657 .
C1 Ni1 P1 89.57(5) 3_657 .
C1 Ni1 P1 90.43(5) . .
C1 Ni1 P1 90.43(5) 3_657 3_657
C1 Ni1 P1 89.57(5) . 3_657
P1 Ni1 P1 180.0 . 3_657
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 P2 1.7527(16) .
C1 Ni1 1.9829(16) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C7 1.399(2) .
C2 C3 1.400(3) .
C2 P1 1.8062(18) .
C3 C4 1.388(3) .
C3 H3 0.9500 .
C4 C5 1.382(3) .
C4 H4 0.9500 .
C5 C6 1.379(3) .
C5 H5 0.9500 .
C6 C7 1.392(3) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C13 1.393(3) .
C8 C9 1.399(2) .
C8 P1 1.8087(18) .
C9 C10 1.387(3) .
C9 H9 0.9500 .
C10 C11 1.379(3) .
C10 H10 0.9500 .
C11 C12 1.380(3) .
C11 H11 0.9500 .
C12 C13 1.394(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C19 1.394(3) .
C14 C15 1.397(3) .
C14 P2 1.7927(17) .
C15 C16 1.391(3) .
C15 H15 0.9500 .
C16 C17 1.388(4) .
C16 H16 0.9500 .
C17 C18 1.373(4) .
C17 H17 0.9500 .
C18 C19 1.391(3) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C25 1.385(3) .
C20 C21 1.391(3) .
C20 P2 1.7965(17) .
C21 C22 1.387(3) .
C21 H21 0.9500 .
C22 C23 1.374(3) .
C22 H22 0.9500 .
C23 C24 1.366(3) .
C23 H23 0.9500 .
C24 C25 1.391(3) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 N1 1.495(2) .
C26 C27 1.518(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.536(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 S1 1.806(2) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 S1 1.796(3) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
N1 P2 1.6745(15) .
N1 P1 1.7163(14) .
B1 F4 1.341(5) .
B1 F3 1.361(4) .
B1 F1 1.373(3) .
B1 F2 1.381(4) .
P1 Ni1 2.1704(4) .
Ni1 C1 1.9829(16) 3_657
Ni1 P1 2.1704(4) 3_657
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_4
C7 C2 C3 C4 1.5(3) .
P1 C2 C3 C4 177.74(15) .
C2 C3 C4 C5 -0.2(3) .
C3 C4 C5 C6 -1.0(3) .
C4 C5 C6 C7 0.8(3) .
C5 C6 C7 C2 0.5(3) .
C3 C2 C7 C6 -1.6(3) .
P1 C2 C7 C6 -178.14(15) .
C13 C8 C9 C10 -1.6(3) .
P1 C8 C9 C10 -172.12(15) .
C8 C9 C10 C11 0.3(3) .
C9 C10 C11 C12 0.6(3) .
C10 C11 C12 C13 -0.3(4) .
C9 C8 C13 C12 1.9(3) .
P1 C8 C13 C12 171.79(16) .
C11 C12 C13 C8 -1.0(3) .
C19 C14 C15 C16 0.0(3) .
P2 C14 C15 C16 176.87(18) .
C14 C15 C16 C17 0.7(4) .
C15 C16 C17 C18 -0.8(4) .
C16 C17 C18 C19 0.1(4) .
C17 C18 C19 C14 0.7(4) .
C15 C14 C19 C18 -0.7(3) .
P2 C14 C19 C18 -177.34(18) .
C25 C20 C21 C22 -2.0(4) .
P2 C20 C21 C22 -174.8(3) .
C20 C21 C22 C23 0.4(5) .
C21 C22 C23 C24 1.6(5) .
C22 C23 C24 C25 -1.9(4) .
C21 C20 C25 C24 1.7(4) .
P2 C20 C25 C24 174.34(19) .
C23 C24 C25 C20 0.3(4) .
N1 C26 C27 C28 166.12(16) .
C26 C27 C28 S1 -71.2(2) .
C27 C26 N1 P2 -125.94(15) .
C27 C26 N1 P1 83.36(18) .
C26 N1 P1 C2 50.41(15) .
P2 N1 P1 C2 -102.57(10) .
C26 N1 P1 C8 -64.88(15) .
P2 N1 P1 C8 142.15(9) .
C26 N1 P1 Ni1 175.31(12) .
P2 N1 P1 Ni1 22.33(9) .
C7 C2 P1 N1 101.24(14) .
C3 C2 P1 N1 -75.09(17) .
C7 C2 P1 C8 -145.45(13) .
C3 C2 P1 C8 38.22(17) .
C7 C2 P1 Ni1 -18.00(15) .
C3 C2 P1 Ni1 165.67(14) .
C13 C8 P1 N1 138.88(15) .
C9 C8 P1 N1 -51.01(15) .
C13 C8 P1 C2 24.84(17) .
C9 C8 P1 C2 -165.05(13) .
C13 C8 P1 Ni1 -104.76(15) .
C9 C8 P1 Ni1 65.35(14) .
C26 N1 P2 C1 165.42(12) .
P1 N1 P2 C1 -40.27(10) .
C26 N1 P2 C14 44.66(14) .
P1 N1 P2 C14 -161.04(8) .
C26 N1 P2 C20 -75.51(14) .
P1 N1 P2 C20 78.79(10) .
Ni1 C1 P2 N1 42.63(10) .
Ni1 C1 P2 C14 158.36(8) .
Ni1 C1 P2 C20 -75.83(11) .
C19 C14 P2 N1 -118.39(17) .
C15 C14 P2 N1 64.84(17) .
C19 C14 P2 C1 126.91(17) .
C15 C14 P2 C1 -49.85(18) .
C19 C14 P2 C20 1.1(2) .
C15 C14 P2 C20 -175.62(15) .
C25 C20 P2 N1 -128.91(17) .
C21 C20 P2 N1 43.7(2) .
C25 C20 P2 C1 -13.7(2) .
C21 C20 P2 C1 158.9(2) .
C25 C20 P2 C14 113.69(17) .
C21 C20 P2 C14 -73.7(2) .
C27 C28 S1 C29 -75.10(18) .
P2 C1 Ni1 P1 -25.63(8) .
P2 C1 Ni1 P1 154.37(8) 3_657
N1 P1 Ni1 C1 -177.47(7) 3_657
C2 P1 Ni1 C1 -58.46(8) 3_657
C8 P1 Ni1 C1 67.09(8) 3_657
N1 P1 Ni1 C1 2.53(7) .
C2 P1 Ni1 C1 121.54(8) .
C8 P1 Ni1 C1 -112.91(8) .
