#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:53:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178586 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/97/4069798.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_4069798
loop_
_publ_author_name
'Liu, Ailing'
'Zhang, Xiaoming'
'Chen, Wanzhi'
_publ_section_title
;
 New Pincer CC′C Complexes of Nickel(II) via Chloronickelation of
 Alkyne-Bearing N-Heterocyclic Carbenes
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4868
_journal_paper_doi               10.1021/om900419b
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C24 H21 Cl F6 N5 Ni P'
_chemical_formula_weight         618.59
_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                 105.771(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8630(10)
_cell_length_b                   27.014(2)
_cell_length_c                   10.0695(11)
_cell_measurement_temperature    298(2)
_cell_volume                     2581.9(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0653
_diffrn_reflns_av_sigmaI/netI    0.0831
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            13530
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.8664
_exptl_absorpt_correction_T_min  0.8125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         4539
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0297P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                2365
_reflns_number_total             4539
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900419b_si_002.cif
_cod_data_source_block           080827b
_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 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4069798
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
Ni1 Ni 0.71071(5) 0.196470(17) 0.76188(5) 0.05460(18) Uani 1 1 d . . .
Cl1 Cl 0.70296(14) 0.36291(4) 0.77423(14) 0.0947(4) Uani 1 1 d . . .
F1 F 0.0793(12) 0.3883(6) 0.8351(17) 0.150(7) Uani 0.541(16) 1 d P A 1
F2 F 0.3814(13) 0.3736(7) 0.873(3) 0.183(9) Uani 0.541(16) 1 d P A 1
F3 F 0.1814(18) 0.3678(8) 0.6779(11) 0.149(7) Uani 0.541(16) 1 d P A 1
F4 F 0.237(2) 0.3420(8) 0.890(3) 0.305(14) Uani 0.541(16) 1 d P A 1
F5 F 0.2265(16) 0.4229(5) 0.9351(15) 0.171(7) Uani 0.541(16) 1 d P A 1
F6 F 0.240(2) 0.4283(7) 0.7263(18) 0.191(8) Uani 0.541(16) 1 d P A 1
F1' F 0.162(2) 0.3375(8) 0.8862(14) 0.178(8) Uani 0.459(16) 1 d P A 2
F2' F 0.378(2) 0.3869(8) 0.808(2) 0.160(10) Uani 0.459(16) 1 d P A 2
F3' F 0.231(2) 0.3422(7) 0.729(2) 0.149(7) Uani 0.459(16) 1 d P A 2
F4' F 0.0739(14) 0.3997(5) 0.739(2) 0.142(7) Uani 0.459(16) 1 d P A 2
F5' F 0.251(2) 0.4386(5) 0.820(3) 0.198(13) Uani 0.459(16) 1 d P A 2
F6' F 0.300(3) 0.3892(15) 0.9821(13) 0.304(15) Uani 0.459(16) 1 d P A 2
N1 N 0.5206(4) 0.22961(12) 0.9009(3) 0.0645(9) Uani 1 1 d . . .
N2 N 0.4913(3) 0.15152(12) 0.8926(3) 0.0615(9) Uani 1 1 d . . .
N3 N 0.9202(4) 0.25249(12) 0.6670(4) 0.0661(9) Uani 1 1 d . . .
N4 N 0.9745(3) 0.17663(12) 0.6852(3) 0.0619(9) Uani 1 1 d . . .
N5 N 0.6812(3) 0.13417(11) 0.6750(3) 0.0563(9) Uani 1 1 d . . .
P1 P 0.22963(16) 0.38545(5) 0.82537(16) 0.0784(4) Uani 1 1 d . . .
C1 C 0.5832(5) 0.27623(15) 0.8800(4) 0.0770(13) Uani 1 1 d . . .
H1A H 0.6269 0.2920 0.9678 0.092 Uiso 1 1 calc R . .
H1B H 0.5124 0.2984 0.8253 0.092 Uiso 1 1 calc R . .
C2 C 0.6941(4) 0.26394(15) 0.8037(4) 0.0639(12) Uani 1 1 d . . .
C3 C 0.7513(5) 0.30026(16) 0.7545(4) 0.0713(12) Uani 1 1 d . . .
C4 C 0.8549(5) 0.30002(14) 0.6716(5) 0.0790(13) Uani 1 1 d . . .
H4A H 0.8077 0.3102 0.5781 0.095 Uiso 1 1 calc R . .
H4B H 0.9278 0.3242 0.7099 0.095 Uiso 1 1 calc R . .
C5 C 0.5664(4) 0.18809(15) 0.8530(4) 0.0593(11) Uani 1 1 d . . .
C6 C 0.4019(5) 0.17102(18) 0.9640(5) 0.0795(14) Uani 1 1 d . . .
H6 H 0.3412 0.1533 1.0026 0.095 Uiso 1 1 calc R . .
C7 C 0.4193(5) 0.21973(19) 0.9671(5) 0.0819(14) Uani 1 1 d . . .
H7 H 0.3718 0.2428 1.0065 0.098 Uiso 1 1 calc R . .
C8 C 0.5034(5) 0.09902(16) 0.8729(4) 0.0574(11) Uani 1 1 d . . .
C9 C 0.6308(5) 0.07591(16) 0.9227(4) 0.0672(12) Uani 1 1 d . . .
H9 H 0.7101 0.0936 0.9699 0.081 Uiso 1 1 calc R . .
C10 C 0.6384(5) 0.02537(18) 0.9009(5) 0.0740(13) Uani 1 1 d . . .
H10 H 0.7243 0.0091 0.9327 0.089 Uiso 1 1 calc R . .
C11 C 0.5217(6) -0.00080(17) 0.8335(5) 0.0808(15) Uani 1 1 d . . .
H11 H 0.5283 -0.0347 0.8199 0.097 Uiso 1 1 calc R . .
C12 C 0.3958(5) 0.02255(18) 0.7861(5) 0.0836(15) Uani 1 1 d . . .
H12 H 0.3161 0.0046 0.7410 0.100 Uiso 1 1 calc R . .
C13 C 0.3864(5) 0.07319(17) 0.8051(5) 0.0729(13) Uani 1 1 d . . .
H13 H 0.3006 0.0894 0.7719 0.087 Uiso 1 1 calc R . .
C14 C 0.8758(4) 0.20878(14) 0.7052(4) 0.0574(11) Uani 1 1 d . . .
C15 C 1.0730(5) 0.20013(17) 0.6342(5) 0.0828(14) Uani 1 1 d . . .
H15 H 1.1486 0.1854 0.6109 0.099 Uiso 1 1 calc R . .
C16 C 1.0401(5) 0.24776(17) 0.6244(5) 0.0862(15) Uani 1 1 d . . .
H16 H 1.0888 0.2730 0.5944 0.103 Uiso 1 1 calc R . .
C17 C 0.9865(4) 0.12564(15) 0.7244(5) 0.0564(11) Uani 1 1 d . . .
C18 C 0.9870(4) 0.09018(18) 0.6285(5) 0.0724(13) Uani 1 1 d . . .
H18 H 0.9790 0.0989 0.5373 0.087 Uiso 1 1 calc R . .
C19 C 0.9995(5) 0.04129(18) 0.6681(6) 0.0870(15) Uani 1 1 d . . .
H19 H 0.9988 0.0169 0.6028 0.104 Uiso 1 1 calc R . .
C20 C 1.0128(5) 0.02825(18) 0.8013(7) 0.0906(16) Uani 1 1 d . . .
H20 H 1.0212 -0.0049 0.8268 0.109 Uiso 1 1 calc R . .
C21 C 1.0140(5) 0.0635(2) 0.8967(5) 0.0879(15) Uani 1 1 d . . .
H21 H 1.0229 0.0546 0.9879 0.105 Uiso 1 1 calc R . .
C22 C 1.0021(4) 0.11273(17) 0.8590(5) 0.0697(12) Uani 1 1 d . . .
H22 H 1.0047 0.1371 0.9250 0.084 Uiso 1 1 calc R . .
C23 C 0.6524(4) 0.09873(15) 0.6122(4) 0.0552(11) Uani 1 1 d . . .
C24 C 0.6158(5) 0.05282(13) 0.5356(4) 0.0792(14) Uani 1 1 d . . .
H24A H 0.6614 0.0256 0.5915 0.119 Uiso 1 1 calc R . .
H24B H 0.6464 0.0543 0.4530 0.119 Uiso 1 1 calc R . .
H24C H 0.5156 0.0482 0.5117 0.119 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'
F F 0.0171 0.0103 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
N5 Ni1 C2 162.73(16)
N5 Ni1 C14 93.10(14)
C2 Ni1 C14 91.81(18)
N5 Ni1 C5 94.36(15)
C2 Ni1 C5 83.45(18)
C14 Ni1 C5 168.91(16)
P1 F2 F4 48.9(8)
P1 F3 F6 56.0(8)
P1 F4 F2 56.5(9)
P1 F6 F3 53.9(6)
C5 N1 C7 111.8(4)
C5 N1 C1 118.4(4)
C7 N1 C1 129.7(4)
C5 N2 C6 110.5(3)
C5 N2 C8 127.1(3)
C6 N2 C8 122.3(4)
C14 N3 C16 112.5(3)
C14 N3 C4 125.9(4)
C16 N3 C4 121.6(4)
C14 N4 C15 111.6(3)
C14 N4 C17 125.7(3)
C15 N4 C17 122.4(3)
C23 N5 Ni1 172.9(3)
F4 P1 F5' 153.9(18)
F4 P1 F2 74.6(14)
F5' P1 F2 94.6(12)
F4 P1 F5 104.1(16)
F5' P1 F5 52.9(9)
F2 P1 F5 97.3(9)
F4 P1 F3 99.4(14)
F5' P1 F3 106.4(16)
F2 P1 F3 105.9(12)
F5 P1 F3 150.6(11)
F4 P1 F1 86.4(9)
F5' P1 F1 96.3(10)
F2 P1 F1 155.9(15)
F5 P1 F1 72.7(7)
F3 P1 F1 91.6(8)
F4 P1 F2' 98.7(12)
F5' P1 F2' 79.3(10)
F2 P1 F2' 28.6(12)
F5 P1 F2' 106.3(11)
F3 P1 F2' 87.1(11)
F1 P1 F2' 174.8(13)
F4 P1 F3' 68.2(14)
F5' P1 F3' 134.7(16)
F2 P1 F3' 81.7(11)
F5 P1 F3' 172.3(12)
F3 P1 F3' 35.3(6)
F1 P1 F3' 105.2(8)
F2' P1 F3' 76.5(11)
F4 P1 F6' 67.1(16)
F5' P1 F6' 86.9(12)
F2 P1 F6' 63.2(11)
F5 P1 F6' 45.4(14)
F3 P1 F6' 164(2)
F1 P1 F6' 96.0(14)
F2' P1 F6' 86.5(11)
F3' P1 F6' 129(2)
F4 P1 F6 165.2(15)
F5' P1 F6 37.0(10)
F2 P1 F6 97.9(12)
F5 P1 F6 89.3(7)
F3 P1 F6 70.1(11)
F1 P1 F6 103.8(12)
F2' P1 F6 71.1(10)
F3' P1 F6 98.4(13)
F6' P1 F6 121.3(11)
F4 P1 F4' 113.3(10)
F5' P1 F4' 82.5(10)
F2 P1 F4' 166.2(16)
F5 P1 F4' 91.7(11)
F3 P1 F4' 62.5(8)
F1 P1 F4' 37.6(4)
F2' P1 F4' 138.2(13)
F3' P1 F4' 90.7(8)
F6' P1 F4' 129.8(19)
F6 P1 F4' 71.8(10)
F4 P1 F1' 26.1(13)
F5' P1 F1' 150.3(14)
F2 P1 F1' 100.6(14)
F5 P1 F1' 99.5(10)
F3 P1 F1' 93.9(9)
F1 P1 F1' 61.0(8)
F2' P1 F1' 124.1(13)
F3' P1 F1' 73.2(11)
F6' P1 F1' 77.6(11)
F6 P1 F1' 158.3(10)
F4' P1 F1' 88.1(8)
N1 C1 C2 106.0(3)
C3 C2 C1 118.1(4)
C3 C2 Ni1 125.0(3)
C1 C2 Ni1 115.9(3)
C2 C3 C4 130.5(4)
C2 C3 Cl1 121.3(4)
C4 C3 Cl1 108.2(3)
N3 C4 C3 113.8(4)
N1 C5 N2 103.8(3)
N1 C5 Ni1 116.1(3)
N2 C5 Ni1 140.0(3)
C7 C6 N2 107.0(4)
C6 C7 N1 106.8(4)
C13 C8 C9 121.2(4)
C13 C8 N2 118.8(4)
C9 C8 N2 120.0(4)
C8 C9 C10 118.3(4)
C11 C10 C9 120.9(4)
C12 C11 C10 120.1(5)
C11 C12 C13 119.9(5)
C8 C13 C12 119.6(4)
N3 C14 N4 102.4(3)
N3 C14 Ni1 127.6(3)
N4 C14 Ni1 129.8(3)
C16 C15 N4 107.1(4)
C15 C16 N3 106.4(4)
C18 C17 C22 120.2(4)
C18 C17 N4 119.9(4)
C22 C17 N4 119.9(4)
C17 C18 C19 119.2(4)
C20 C19 C18 120.8(5)
C21 C20 C19 120.0(5)
C20 C21 C22 120.0(5)
C17 C22 C21 119.8(4)
N5 C23 C24 178.5(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ni1 N5 1.883(3)
Ni1 C2 1.888(4)
Ni1 C14 1.895(4)
Ni1 C5 1.905(4)
Cl1 C3 1.784(4)
F1 P1 1.514(9)
F2 P1 1.477(12)
F2 F4 1.71(3)
F3 P1 1.508(12)
F3 F6 1.75(3)
F4 P1 1.334(14)
F5 P1 1.505(8)
F6 P1 1.548(12)
F1' P1 1.650(12)
F2' P1 1.518(15)
F3' P1 1.524(12)
F4' P1 1.593(11)
F5' P1 1.456(13)
F6' P1 1.545(12)
N1 C5 1.346(4)
N1 C7 1.370(5)
N1 C1 1.443(5)
N2 C5 1.357(4)
N2 C6 1.385(4)
N2 C8 1.442(5)
N3 C14 1.351(4)
N3 C16 1.369(5)
N3 C4 1.443(4)
N4 C14 1.360(4)
N4 C15 1.372(5)
N4 C17 1.429(4)
N5 C23 1.140(4)
C1 C2 1.534(5)
C2 C3 1.295(5)
C3 C4 1.485(6)
C6 C7 1.326(5)
C8 C13 1.363(5)
C8 C9 1.370(5)
C9 C10 1.388(5)
C10 C11 1.364(6)
C11 C12 1.358(6)
C12 C13 1.388(5)
C15 C16 1.324(5)
C17 C18 1.361(5)
C17 C22 1.368(5)
C18 C19 1.375(5)
C19 C20 1.358(6)
C20 C21 1.351(6)
C21 C22 1.379(5)
C23 C24 1.453(5)
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
C2 Ni1 N5 C23 1(3)
C14 Ni1 N5 C23 -105(3)
C5 Ni1 N5 C23 83(3)
F2 F4 P1 F5' -68(3)
F2 F4 P1 F5 -93.8(11)
F2 F4 P1 F3 104.0(12)
F2 F4 P1 F1 -165.0(12)
F2 F4 P1 F2' 15.5(16)
F2 F4 P1 F3' 87.1(15)
F2 F4 P1 F6' -66.9(14)
F2 F4 P1 F6 61(5)
F2 F4 P1 F4' 168.0(13)
F2 F4 P1 F1' -177(4)
F4 F2 P1 F5' 155.9(19)
F4 F2 P1 F5 102.7(16)
F4 F2 P1 F3 -95.6(15)
F4 F2 P1 F1 39(2)
F4 F2 P1 F2' -147(3)
F4 F2 P1 F3' -69.6(15)
F4 F2 P1 F6' 72(2)
F4 F2 P1 F6 -167.0(17)
F4 F2 P1 F4' -127(4)
F4 F2 P1 F1' 2(2)
F6 F3 P1 F4 -169.3(13)
F6 F3 P1 F5' 7.1(15)
F6 F3 P1 F2 -92.8(11)
F6 F3 P1 F5 48(2)
F6 F3 P1 F1 104.1(13)
F6 F3 P1 F2' -70.9(11)
F6 F3 P1 F3' -141(2)
F6 F3 P1 F6' -138(4)
F6 F3 P1 F4' 79.3(13)
F6 F3 P1 F1' 165.1(14)
F3 F6 P1 F4 46(5)
F3 F6 P1 F5' -169(2)
F3 F6 P1 F2 104.1(11)
F3 F6 P1 F5 -158.6(11)
F3 F6 P1 F1 -86.6(9)
F3 F6 P1 F2' 93.9(14)
F3 F6 P1 F3' 21.4(12)
F3 F6 P1 F6' 167.4(19)
F3 F6 P1 F4' -66.6(9)
F3 F6 P1 F1' -44(4)
C5 N1 C1 C2 -0.5(5)
C7 N1 C1 C2 178.0(4)
N1 C1 C2 C3 170.1(4)
N1 C1 C2 Ni1 0.8(4)
N5 Ni1 C2 C3 -85.5(7)
C14 Ni1 C2 C3 20.9(4)
C5 Ni1 C2 C3 -169.1(4)
N5 Ni1 C2 C1 82.9(6)
C14 Ni1 C2 C1 -170.6(3)
C5 Ni1 C2 C1 -0.7(3)
C1 C2 C3 C4 -176.8(4)
Ni1 C2 C3 C4 -8.6(7)
C1 C2 C3 Cl1 -0.1(6)
Ni1 C2 C3 Cl1 168.1(2)
C14 N3 C4 C3 14.2(6)
C16 N3 C4 C3 -164.3(4)
C2 C3 C4 N3 -12.7(7)
Cl1 C3 C4 N3 170.3(3)
C7 N1 C5 N2 -0.7(5)
C1 N1 C5 N2 178.1(3)
C7 N1 C5 Ni1 -178.7(3)
C1 N1 C5 Ni1 0.0(5)
C6 N2 C5 N1 -0.2(5)
C8 N2 C5 N1 -177.1(4)
C6 N2 C5 Ni1 177.1(4)
C8 N2 C5 Ni1 0.3(7)
N5 Ni1 C5 N1 -162.4(3)
C2 Ni1 C5 N1 0.4(3)
C14 Ni1 C5 N1 65.5(10)
N5 Ni1 C5 N2 20.5(5)
C2 Ni1 C5 N2 -176.7(5)
C14 Ni1 C5 N2 -111.6(9)
C5 N2 C6 C7 1.0(5)
C8 N2 C6 C7 178.1(4)
N2 C6 C7 N1 -1.4(5)
C5 N1 C7 C6 1.3(5)
C1 N1 C7 C6 -177.2(4)
C5 N2 C8 C13 -123.9(4)
C6 N2 C8 C13 59.6(5)
C5 N2 C8 C9 56.5(6)
C6 N2 C8 C9 -120.0(4)
C13 C8 C9 C10 0.8(6)
N2 C8 C9 C10 -179.6(3)
C8 C9 C10 C11 -1.0(6)
C9 C10 C11 C12 0.2(7)
C10 C11 C12 C13 0.7(7)
C9 C8 C13 C12 0.0(6)
N2 C8 C13 C12 -179.5(3)
C11 C12 C13 C8 -0.8(6)
C16 N3 C14 N4 0.4(5)
C4 N3 C14 N4 -178.2(4)
C16 N3 C14 Ni1 -176.4(3)
C4 N3 C14 Ni1 5.0(6)
C15 N4 C14 N3 -1.2(5)
C17 N4 C14 N3 172.7(4)
C15 N4 C14 Ni1 175.6(3)
C17 N4 C14 Ni1 -10.6(6)
N5 Ni1 C14 N3 143.7(4)
C2 Ni1 C14 N3 -19.8(4)
C5 Ni1 C14 N3 -84.1(10)
N5 Ni1 C14 N4 -32.3(4)
C2 Ni1 C14 N4 164.2(4)
C5 Ni1 C14 N4 99.9(9)
C14 N4 C15 C16 1.5(5)
C17 N4 C15 C16 -172.5(4)
N4 C15 C16 N3 -1.2(5)
C14 N3 C16 C15 0.5(6)
C4 N3 C16 C15 179.2(4)
C14 N4 C17 C18 125.1(4)
C15 N4 C17 C18 -61.7(5)
C14 N4 C17 C22 -57.1(6)
C15 N4 C17 C22 116.1(5)
C22 C17 C18 C19 1.8(6)
N4 C17 C18 C19 179.6(4)
C17 C18 C19 C20 -0.8(7)
C18 C19 C20 C21 0.0(8)
C19 C20 C21 C22 -0.2(7)
C18 C17 C22 C21 -2.0(6)
N4 C17 C22 C21 -179.8(4)
C20 C21 C22 C17 1.2(7)
Ni1 N5 C23 C24 -135(14)
