#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:08:46 +0100 (vie 25 de mar de 2016) $
#$Revision: 179828 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/24/7012449.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_7012449
loop_
_publ_author_name
'Tuna, Floriana'
'Clarkson, Guy'
'Alcock, Nathaniel W.'
'Hannon, Michael J.'
_publ_section_title
;
 The effect of phenyl substituents on supramolecular assemblies
 containing directly linked bis-pyridylimine ligands: synthesis and
 structural characterisation of mononuclear nickel(ii) and dinuclear
 silver(i) and cobalt(iii) complexes of (2-pyridyl)phenylketazine
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2149
_journal_paper_doi               10.1039/b211006g
_journal_year                    2003
_chemical_formula_sum            'C48 H36 F12 N8 Ni P2'
_chemical_formula_weight         1073.50
_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                 102.6600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.787(2)
_cell_length_b                   15.172(2)
_cell_length_c                   19.527(3)
_cell_measurement_reflns_used    6428
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     4563.4(11)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1246
_diffrn_reflns_av_sigmaI/netI    0.1531
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20867
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        nil
_exptl_absorpt_coefficient_mu    0.591
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            topaz
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     657
_refine_ls_number_reflns         7133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1556
_refine_ls_R_factor_gt           0.0706
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0343P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                3881
_reflns_number_total             7133
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211006g.txt
_cod_data_source_block           ft15
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4563.3(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7012449
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 -0.74269(4) -0.13989(4) 0.04001(4) 0.0244(2) Uani 1 1 d . . .
N101 N -0.8571(3) -0.1890(3) 0.0615(2) 0.0256(12) Uani 1 1 d . . .
C102 C -0.9300(3) -0.1436(4) 0.0613(3) 0.0367(16) Uani 1 1 d . . .
H10A H -0.9383 -0.0889 0.0371 0.044 Uiso 1 1 calc R . .
C103 C -0.9937(4) -0.1728(4) 0.0946(4) 0.0475(19) Uani 1 1 d . . .
H10C H -1.0449 -0.1392 0.0929 0.057 Uiso 1 1 calc R . .
C104 C -0.9809(4) -0.2513(4) 0.1300(3) 0.0428(17) Uani 1 1 d . . .
H10E H -1.0232 -0.2722 0.1541 0.051 Uiso 1 1 calc R . .
C105 C -0.9072(3) -0.3000(4) 0.1310(3) 0.0390(17) Uani 1 1 d . . .
H10D H -0.8984 -0.3550 0.1549 0.047 Uiso 1 1 calc R . .
C106 C -0.8457(3) -0.2673(4) 0.0962(3) 0.0275(14) Uani 1 1 d . . .
C107 C -0.7632(3) -0.3133(4) 0.0961(3) 0.0270(14) Uani 1 1 d . . .
C108 C -0.7514(4) -0.4075(4) 0.1160(3) 0.0289(15) Uani 1 1 d . . .
C109 C -0.8146(4) -0.4691(4) 0.0879(4) 0.0472(19) Uani 1 1 d . . .
H10B H -0.8656 -0.4512 0.0552 0.057 Uiso 1 1 calc R . .
C110 C -0.8032(4) -0.5566(4) 0.1075(4) 0.063(2) Uani 1 1 d . . .
H11G H -0.8458 -0.5991 0.0877 0.076 Uiso 1 1 calc R . .
C111 C -0.7286(5) -0.5826(5) 0.1567(4) 0.063(2) Uani 1 1 d . . .
H11E H -0.7215 -0.6424 0.1713 0.076 Uiso 1 1 calc R . .
C112 C -0.6656(5) -0.5214(5) 0.1840(4) 0.0527(19) Uani 1 1 d . . .
H11F H -0.6148 -0.5393 0.2168 0.063 Uiso 1 1 calc R . .
C113 C -0.6763(4) -0.4345(4) 0.1638(3) 0.0375(16) Uani 1 1 d . . .
H11A H -0.6325 -0.3927 0.1823 0.045 Uiso 1 1 calc R . .
N114 N -0.7044(3) -0.2627(3) 0.0761(2) 0.0239(11) Uani 1 1 d . . .
N115 N -0.6345(3) -0.3103(3) 0.0632(2) 0.0287(12) Uani 1 1 d . . .
C116 C -0.5652(3) -0.2659(4) 0.0590(3) 0.0269(14) Uani 1 1 d . . .
C117 C -0.5453(3) -0.1696(4) 0.0716(3) 0.0294(15) Uani 1 1 d . . .
N118 N -0.6090(3) -0.1086(3) 0.0484(2) 0.0262(12) Uani 1 1 d . . .
C119 C -0.5850(4) -0.0233(4) 0.0578(3) 0.0327(15) Uani 1 1 d . . .
H11B H -0.6272 0.0202 0.0397 0.039 Uiso 1 1 calc R . .
C120 C -0.5037(4) 0.0053(4) 0.0916(3) 0.0343(16) Uani 1 1 d . . .
H12C H -0.4905 0.0663 0.0966 0.041 Uiso 1 1 calc R . .
C121 C -0.4422(4) -0.0574(4) 0.1180(3) 0.0362(16) Uani 1 1 d . . .
H12B H -0.3861 -0.0397 0.1429 0.043 Uiso 1 1 calc R . .
C122 C -0.4617(3) -0.1461(4) 0.1083(3) 0.0369(16) Uani 1 1 d . . .
H12A H -0.4196 -0.1899 0.1260 0.044 Uiso 1 1 calc R . .
C123 C -0.4934(3) -0.3213(4) 0.0441(3) 0.0294(15) Uani 1 1 d . . .
C124 C -0.4421(4) -0.2915(4) -0.0010(3) 0.0448(18) Uani 1 1 d . . .
H12D H -0.4522 -0.2344 -0.0210 0.054 Uiso 1 1 calc R . .
C125 C -0.3769(4) -0.3431(5) -0.0174(3) 0.055(2) Uani 1 1 d . . .
H12I H -0.3432 -0.3218 -0.0487 0.067 Uiso 1 1 calc R . .
C126 C -0.3614(4) -0.4248(5) 0.0117(4) 0.053(2) Uani 1 1 d . . .
H12G H -0.3156 -0.4597 0.0017 0.064 Uiso 1 1 calc R . .
C127 C -0.4120(4) -0.4576(4) 0.0557(3) 0.0458(18) Uani 1 1 d . . .
H12H H -0.4019 -0.5153 0.0746 0.055 Uiso 1 1 calc R . .
C128 C -0.4773(4) -0.4060(4) 0.0721(3) 0.0374(16) Uani 1 1 d . . .
H12F H -0.5114 -0.4284 0.1027 0.045 Uiso 1 1 calc R . .
N201 N -0.7263(3) -0.0707(3) 0.1345(2) 0.0254(11) Uani 1 1 d . . .
C202 C -0.6710(3) -0.1037(4) 0.1911(3) 0.0326(15) Uani 1 1 d . . .
H20C H -0.6488 -0.1613 0.1875 0.039 Uiso 1 1 calc R . .
C203 C -0.6441(3) -0.0592(4) 0.2545(3) 0.0349(16) Uani 1 1 d . . .
H20B H -0.6041 -0.0853 0.2926 0.042 Uiso 1 1 calc R . .
C204 C -0.6772(3) 0.0237(4) 0.2602(3) 0.0381(16) Uani 1 1 d . . .
H20E H -0.6603 0.0566 0.3024 0.046 Uiso 1 1 calc R . .
C205 C -0.7360(3) 0.0581(4) 0.2030(3) 0.0364(16) Uani 1 1 d . . .
H20A H -0.7603 0.1148 0.2066 0.044 Uiso 1 1 calc R . .
C206 C -0.7597(3) 0.0114(4) 0.1408(3) 0.0259(14) Uani 1 1 d . . .
C207 C -0.8222(3) 0.0529(3) 0.0802(3) 0.0281(15) Uani 1 1 d . . .
C208 C -0.8846(3) 0.1187(4) 0.0982(3) 0.0316(15) Uani 1 1 d . . .
C209 C -0.9331(4) 0.0984(4) 0.1471(3) 0.0396(17) Uani 1 1 d . . .
H20D H -0.9234 0.0443 0.1720 0.048 Uiso 1 1 calc R . .
C210 C -0.9962(4) 0.1567(5) 0.1601(4) 0.0482(19) Uani 1 1 d . . .
H21E H -1.0302 0.1418 0.1930 0.058 Uiso 1 1 calc R . .
C211 C -1.0087(4) 0.2351(5) 0.1254(4) 0.055(2) Uani 1 1 d . . .
H21G H -1.0515 0.2749 0.1343 0.066 Uiso 1 1 calc R . .
C212 C -0.9592(4) 0.2577(4) 0.0767(4) 0.0484(19) Uani 1 1 d . . .
H21C H -0.9687 0.3123 0.0524 0.058 Uiso 1 1 calc R . .
C213 C -0.8967(3) 0.2003(4) 0.0642(3) 0.0415(18) Uani 1 1 d . . .
H21B H -0.8616 0.2162 0.0323 0.050 Uiso 1 1 calc R . .
N214 N -0.8314(3) 0.0419(3) 0.0129(3) 0.0302(12) Uani 1 1 d . . .
N215 N -0.7875(3) -0.0266(3) -0.0107(2) 0.0243(11) Uani 1 1 d . . .
C216 C -0.7851(3) -0.0230(3) -0.0780(3) 0.0264(14) Uani 1 1 d . . .
C217 C -0.7629(3) -0.1081(3) -0.1076(3) 0.0257(14) Uani 1 1 d . . .
N218 N -0.7584(3) -0.1784(3) -0.0638(2) 0.0236(11) Uani 1 1 d . . .
C219 C -0.7509(3) -0.2585(4) -0.0900(3) 0.0313(15) Uani 1 1 d . . .
H21F H -0.7479 -0.3078 -0.0595 0.038 Uiso 1 1 calc R . .
C220 C -0.7470(3) -0.2737(4) -0.1592(3) 0.0344(16) Uani 1 1 d . . .
H22G H -0.7465 -0.3321 -0.1767 0.041 Uiso 1 1 calc R . .
C221 C -0.7441(3) -0.2021(4) -0.2021(3) 0.0358(16) Uani 1 1 d . . .
H22J H -0.7368 -0.2102 -0.2487 0.043 Uiso 1 1 calc R . .
C222 C -0.7519(3) -0.1170(4) -0.1759(3) 0.0331(16) Uani 1 1 d . . .
H22C H -0.7498 -0.0666 -0.2043 0.040 Uiso 1 1 calc R . .
C223 C -0.8042(3) 0.0581(3) -0.1216(3) 0.0253(14) Uani 1 1 d . . .
C224 C -0.8616(3) 0.0565(4) -0.1879(3) 0.0328(15) Uani 1 1 d . . .
H22E H -0.8902 0.0033 -0.2053 0.039 Uiso 1 1 calc R . .
C225 C -0.8761(4) 0.1326(4) -0.2275(3) 0.0414(16) Uani 1 1 d . . .
H22B H -0.9147 0.1311 -0.2722 0.050 Uiso 1 1 calc R . .
C226 C -0.8355(4) 0.2110(4) -0.2032(4) 0.0415(18) Uani 1 1 d . . .
H22F H -0.8461 0.2628 -0.2312 0.050 Uiso 1 1 calc R . .
C227 C -0.7793(4) 0.2136(4) -0.1380(4) 0.0434(18) Uani 1 1 d . . .
H22D H -0.7508 0.2671 -0.1215 0.052 Uiso 1 1 calc R . .
C228 C -0.7645(3) 0.1382(4) -0.0965(3) 0.0337(15) Uani 1 1 d . . .
H22A H -0.7275 0.1409 -0.0511 0.040 Uiso 1 1 calc R . .
P10 P -0.46860(10) -0.28770(11) 0.29087(10) 0.0393(5) Uani 1 1 d . . .
F11 F -0.4601(2) -0.1853(2) 0.3113(2) 0.0628(12) Uani 1 1 d . . .
F12 F -0.4794(2) -0.39011(19) 0.27093(18) 0.0509(10) Uani 1 1 d . . .
F13 F -0.3949(2) -0.2780(2) 0.2468(2) 0.0694(12) Uani 1 1 d . . .
F14 F -0.5415(2) -0.2634(2) 0.22189(19) 0.0618(11) Uani 1 1 d . . .
F15 F -0.5424(2) -0.2971(2) 0.3351(2) 0.0575(11) Uani 1 1 d . . .
F16 F -0.39663(19) -0.3127(2) 0.35998(18) 0.0527(10) Uani 1 1 d . . .
P20 P -0.10126(12) -0.00597(11) 0.63970(11) 0.0474(5) Uani 1 1 d . . .
F21 F -0.1041(3) -0.0750(2) 0.5781(2) 0.0764(13) Uani 1 1 d . A .
F22 F -0.0980(2) 0.0631(3) 0.7014(2) 0.0871(15) Uani 1 1 d . A .
F23A F -0.0142(4) -0.0493(4) 0.6845(3) 0.093(3) Uani 0.903(10) 1 d P A 1
F24A F -0.0451(6) 0.0583(5) 0.6053(4) 0.142(4) Uani 0.903(10) 1 d P A 1
F25A F -0.1872(4) 0.0384(4) 0.5960(4) 0.107(3) Uani 0.903(10) 1 d P A 1
F26A F -0.1562(4) -0.0718(3) 0.6745(3) 0.089(2) Uani 0.903(10) 1 d P A 1
F23B F -0.005(3) 0.005(3) 0.634(3) 0.055(16) Uiso 0.097(10) 1 d P A 2
F24B F -0.113(3) 0.078(2) 0.5856(19) 0.030(12) Uiso 0.097(10) 1 d P A 2
F25B F -0.195(3) -0.001(3) 0.636(2) 0.045(15) Uiso 0.097(10) 1 d P A 2
F26B F -0.076(4) -0.077(3) 0.688(2) 0.052(16) Uiso 0.097(10) 1 d P A 2
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'
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'
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
N215 Ni1 N114 171.10(17) . . ?
N215 Ni1 N218 78.92(17) . . ?
N114 Ni1 N218 92.49(17) . . ?
N215 Ni1 N101 100.15(17) . . ?
N114 Ni1 N101 78.86(17) . . ?
N218 Ni1 N101 99.99(16) . . ?
N215 Ni1 N201 88.15(18) . . ?
N114 Ni1 N201 100.59(17) . . ?
N218 Ni1 N201 166.20(17) . . ?
N101 Ni1 N201 86.94(16) . . ?
N215 Ni1 N118 94.70(17) . . ?
N114 Ni1 N118 87.95(17) . . ?
N218 Ni1 N118 92.40(16) . . ?
N101 Ni1 N118 162.21(17) . . ?
N201 Ni1 N118 83.78(16) . . ?
C102 N101 C106 118.0(5) . . ?
C102 N101 Ni1 126.7(4) . . ?
C106 N101 Ni1 112.8(3) . . ?
N101 C102 C103 123.1(6) . . ?
C104 C103 C102 118.3(6) . . ?
C103 C104 C105 120.2(6) . . ?
C104 C105 C106 118.7(6) . . ?
N101 C106 C105 121.6(5) . . ?
N101 C106 C107 115.6(5) . . ?
C105 C106 C107 122.7(5) . . ?
N114 C107 C106 113.6(5) . . ?
N114 C107 C108 125.4(5) . . ?
C106 C107 C108 121.1(5) . . ?
C109 C108 C113 119.8(5) . . ?
C109 C108 C107 120.4(5) . . ?
C113 C108 C107 119.8(5) . . ?
C110 C109 C108 119.8(6) . . ?
C109 C110 C111 119.9(6) . . ?
C112 C111 C110 120.1(6) . . ?
C113 C112 C111 120.1(6) . . ?
C112 C113 C108 120.3(6) . . ?
C107 N114 N115 112.8(4) . . ?
C107 N114 Ni1 117.2(3) . . ?
N115 N114 Ni1 126.9(3) . . ?
C116 N115 N114 117.1(5) . . ?
N115 C116 C123 114.0(5) . . ?
N115 C116 C117 129.8(5) . . ?
C123 C116 C117 116.1(5) . . ?
N118 C117 C122 122.6(5) . . ?
N118 C117 C116 119.3(5) . . ?
C122 C117 C116 118.1(5) . . ?
C119 N118 C117 116.0(5) . . ?
C119 N118 Ni1 117.9(4) . . ?
C117 N118 Ni1 121.2(4) . . ?
N118 C119 C120 124.9(5) . . ?
C121 C120 C119 118.0(5) . . ?
C120 C121 C122 120.1(5) . . ?
C121 C122 C117 118.3(5) . . ?
C124 C123 C128 117.7(5) . . ?
C124 C123 C116 120.8(5) . . ?
C128 C123 C116 121.5(5) . . ?
C125 C124 C123 121.8(6) . . ?
C126 C125 C124 119.4(6) . . ?
C125 C126 C127 120.6(6) . . ?
C126 C127 C128 120.0(6) . . ?
C127 C128 C123 120.5(6) . . ?
C202 N201 C206 117.3(5) . . ?
C202 N201 Ni1 118.0(4) . . ?
C206 N201 Ni1 124.1(4) . . ?
N201 C202 C203 124.4(5) . . ?
C204 C203 C202 117.9(6) . . ?
C203 C204 C205 118.5(6) . . ?
C206 C205 C204 121.1(5) . . ?
N201 C206 C205 120.6(5) . . ?
N201 C206 C207 120.6(5) . . ?
C205 C206 C207 118.7(5) . . ?
N214 C207 C208 112.9(5) . . ?
N214 C207 C206 130.6(5) . . ?
C208 C207 C206 116.5(5) . . ?
C209 C208 C213 119.1(5) . . ?
C209 C208 C207 120.4(5) . . ?
C213 C208 C207 120.5(6) . . ?
C208 C209 C210 120.7(6) . . ?
C211 C210 C209 119.5(7) . . ?
C210 C211 C212 120.8(6) . . ?
C213 C212 C211 119.6(6) . . ?
C212 C213 C208 120.3(6) . . ?
C207 N214 N215 118.6(5) . . ?
C216 N215 N214 115.1(4) . . ?
C216 N215 Ni1 115.8(4) . . ?
N214 N215 Ni1 128.3(4) . . ?
N215 C216 C217 114.2(5) . . ?
N215 C216 C223 123.7(5) . . ?
C217 C216 C223 122.1(5) . . ?
N218 C217 C222 121.8(5) . . ?
N218 C217 C216 115.0(5) . . ?
C222 C217 C216 123.1(5) . . ?
C219 N218 C217 118.2(5) . . ?
C219 N218 Ni1 129.0(4) . . ?
C217 N218 Ni1 111.8(3) . . ?
N218 C219 C220 123.5(5) . . ?
C221 C220 C219 118.4(5) . . ?
C220 C221 C222 119.0(6) . . ?
C217 C222 C221 118.7(5) . . ?
C228 C223 C224 118.9(5) . . ?
C228 C223 C216 119.8(5) . . ?
C224 C223 C216 121.3(5) . . ?
C225 C224 C223 119.6(5) . . ?
C224 C225 C226 121.4(6) . . ?
C227 C226 C225 119.6(6) . . ?
C226 C227 C228 120.4(6) . . ?
C227 C228 C223 120.2(5) . . ?
F13 P10 F12 90.6(2) . . ?
F13 P10 F15 179.8(2) . . ?
F12 P10 F15 89.58(19) . . ?
F13 P10 F11 90.8(2) . . ?
F12 P10 F11 178.6(2) . . ?
F15 P10 F11 89.1(2) . . ?
F13 P10 F16 90.6(2) . . ?
F12 P10 F16 89.59(18) . . ?
F15 P10 F16 89.5(2) . . ?
F11 P10 F16 90.9(2) . . ?
F13 P10 F14 90.0(2) . . ?
F12 P10 F14 90.01(19) . . ?
F15 P10 F14 90.0(2) . . ?
F11 P10 F14 89.52(19) . . ?
F16 P10 F14 179.3(2) . . ?
F26B P20 F25B 102(3) . . ?
F26B P20 F23B 89(2) . . ?
F25B P20 F23B 169(3) . . ?
F26B P20 F24A 130(2) . . ?
F25B P20 F24A 127(2) . . ?
F23B P20 F24A 41.4(19) . . ?
F26B P20 F26A 49(2) . . ?
F25B P20 F26A 53.6(19) . . ?
F23B P20 F26A 138(2) . . ?
F24A P20 F26A 178.9(4) . . ?
F26B P20 F25A 139(2) . . ?
F25B P20 F25A 38.5(18) . . ?
F23B P20 F25A 130(2) . . ?
F24A P20 F25A 90.2(4) . . ?
F26A P20 F25A 90.8(3) . . ?
F26B P20 F21 87.4(16) . . ?
F25B P20 F21 97.5(16) . . ?
F23B P20 F21 82.9(17) . . ?
F24A P20 F21 90.6(3) . . ?
F26A P20 F21 89.0(2) . . ?
F25A P20 F21 89.6(3) . . ?
F26B P20 F22 92.6(16) . . ?
F25B P20 F22 82.7(16) . . ?
F23B P20 F22 96.9(17) . . ?
F24A P20 F22 89.3(3) . . ?
F26A P20 F22 91.2(3) . . ?
F25A P20 F22 90.5(3) . . ?
F21 P20 F22 179.8(2) . . ?
F26B P20 F23A 41(2) . . ?
F25B P20 F23A 142(2) . . ?
F23B P20 F23A 49(2) . . ?
F24A P20 F23A 89.5(4) . . ?
F26A P20 F23A 89.5(3) . . ?
F25A P20 F23A 179.1(3) . . ?
F21 P20 F23A 91.2(2) . . ?
F22 P20 F23A 88.6(2) . . ?
F26B P20 F24B 170(3) . . ?
F25B P20 F24B 88(2) . . ?
F23B P20 F24B 81(2) . . ?
F24A P20 F24B 40.0(13) . . ?
F26A P20 F24B 141.0(15) . . ?
F25A P20 F24B 50.3(14) . . ?
F21 P20 F24B 92.5(13) . . ?
F22 P20 F24B 87.5(13) . . ?
F23A P20 F24B 129.3(15) . . ?
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
Ni1 N215 2.032(4) . ?
Ni1 N114 2.037(4) . ?
Ni1 N218 2.072(4) . ?
Ni1 N101 2.080(4) . ?
Ni1 N201 2.090(4) . ?
Ni1 N118 2.134(4) . ?
N101 C102 1.340(6) . ?
N101 C106 1.359(6) . ?
C102 C103 1.384(7) . ?
C103 C104 1.371(8) . ?
C104 C105 1.376(7) . ?
C105 C106 1.393(7) . ?
C106 C107 1.478(7) . ?
C107 N114 1.327(6) . ?
C107 C108 1.482(7) . ?
C108 C109 1.390(7) . ?
C108 C113 1.400(7) . ?
C109 C110 1.382(8) . ?
C110 C111 1.404(9) . ?
C111 C112 1.380(8) . ?
C112 C113 1.376(8) . ?
N114 N115 1.388(5) . ?
N115 C116 1.302(6) . ?
C116 C123 1.490(7) . ?
C116 C117 1.504(7) . ?
C117 N118 1.370(6) . ?
C117 C122 1.402(7) . ?
N118 C119 1.349(6) . ?
C119 C120 1.379(7) . ?
C120 C121 1.375(7) . ?
C121 C122 1.385(7) . ?
C123 C124 1.395(8) . ?
C123 C128 1.399(7) . ?
C124 C125 1.387(7) . ?
C125 C126 1.363(8) . ?
C126 C127 1.387(8) . ?
C127 C128 1.387(7) . ?
N201 C202 1.345(6) . ?
N201 C206 1.368(6) . ?
C202 C203 1.392(7) . ?
C203 C204 1.377(7) . ?
C204 C205 1.388(7) . ?
C205 C206 1.385(7) . ?
C206 C207 1.503(7) . ?
C207 N214 1.301(7) . ?
C207 C208 1.498(7) . ?
C208 C209 1.382(8) . ?
C208 C213 1.398(7) . ?
C209 C210 1.398(7) . ?
C210 C211 1.362(9) . ?
C211 C212 1.399(9) . ?
C212 C213 1.379(7) . ?
N214 N215 1.383(5) . ?
N215 C216 1.325(6) . ?
C216 C217 1.487(7) . ?
C216 C223 1.489(7) . ?
C217 N218 1.358(6) . ?
C217 C222 1.389(7) . ?
N218 C219 1.333(6) . ?
C219 C220 1.387(7) . ?
C220 C221 1.378(7) . ?
C221 C222 1.404(7) . ?
C223 C228 1.404(7) . ?
C223 C224 1.409(7) . ?
C224 C225 1.380(7) . ?
C225 C226 1.385(7) . ?
C226 C227 1.383(8) . ?
C227 C228 1.392(7) . ?
P10 F13 1.597(4) . ?
P10 F12 1.602(3) . ?
P10 F15 1.601(4) . ?
P10 F11 1.602(4) . ?
P10 F16 1.608(3) . ?
P10 F14 1.611(3) . ?
P20 F26B 1.43(4) . ?
P20 F25B 1.47(4) . ?
P20 F23B 1.55(5) . ?
P20 F24A 1.565(5) . ?
P20 F26A 1.572(5) . ?
P20 F25A 1.586(5) . ?
P20 F21 1.589(4) . ?
P20 F22 1.590(4) . ?
P20 F23A 1.600(5) . ?
P20 F24B 1.64(4) . ?
