#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:04:14 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179774 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/70/7007057.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_7007057
loop_
_publ_author_name
'Chien, Chih-Hsien'
'Chang, Jung-Che'
'Yeh, Chen-Yu'
'Lee, Gene-Hsiang'
'Fang, Jim-Min'
'Song, You'
'Peng, Shie-Ming'
_publ_section_title
;
 Weak antiferromagnetic coupling for novel linear hexanuclear
 nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in
 their one-electron reduction products (Ni6 11+).
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3249
_journal_page_last               3256
_journal_paper_doi               10.1039/b516749c
_journal_year                    2006
_chemical_formula_sum            'C80 H68 Cl18 F6 N24 Ni6 O2 P'
_chemical_formula_weight         2532.91
_chemical_name_common            (Ni6(bpyany)4Cl2)(PF6)
_chemical_name_systematic
;
?
;
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9683(7)
_cell_length_b                   15.9683(7)
_cell_length_c                   41.456(2)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.00
_cell_volume                     10570.7(8)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       '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  0.0742
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            58084
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.583
_exptl_absorpt_correction_T_max  0.674
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5100
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.890
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       0.0016(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         6028
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1694
_refine_ls_R_factor_gt           0.1106
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1826P)²+76.4940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3232
_refine_ls_wR_factor_ref         0.3818
_reflns_number_gt                3267
_reflns_number_total             6028
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b516749c.txt
_cod_data_source_block           ic11223(compd_4)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_sg_symbol_H-M      P4/ncc
_cod_database_code               7007057
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y, x, 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 0.7500 0.7500 0.27271(6) 0.0467(6) Uani 1 4 d S . .
Ni2 Ni 0.7500 0.7500 0.33070(5) 0.0375(5) Uani 1 4 d S . .
Ni3 Ni 0.7500 0.7500 0.38578(5) 0.0358(5) Uani 1 4 d S . .
Ni4 Ni 0.7500 0.7500 0.43889(5) 0.0335(5) Uani 1 4 d S . .
Ni5 Ni 0.7500 0.7500 0.49402(5) 0.0333(5) Uani 1 4 d S . .
Ni6 Ni 0.7500 0.7500 0.55236(5) 0.0370(5) Uani 1 4 d S . .
Cl1 Cl 0.7500 0.7500 0.21663(12) 0.0618(12) Uani 1 4 d S . .
Cl2 Cl 0.7500 0.7500 0.60895(10) 0.0468(10) Uani 1 4 d S . .
N1 N 0.6344(5) 0.6900(5) 0.27886(19) 0.0569(19) Uani 1 1 d . . .
N2 N 0.6762(4) 0.6548(4) 0.33193(16) 0.0444(16) Uani 1 1 d . . .
N3 N 0.7028(3) 0.6331(4) 0.38540(16) 0.0382(14) Uani 1 1 d . . .
N4 N 0.7340(4) 0.6255(4) 0.43930(15) 0.0368(14) Uani 1 1 d . . .
N5 N 0.7692(3) 0.6316(4) 0.49279(16) 0.0386(15) Uani 1 1 d . . .
N6 N 0.8213(4) 0.6403(4) 0.54564(17) 0.0419(15) Uani 1 1 d . . .
C1 C 0.5761(7) 0.6956(8) 0.2562(3) 0.078(3) Uani 1 1 d . . .
H1A H 0.5911 0.7197 0.2361 0.094 Uiso 1 1 calc R . .
C2 C 0.4943(9) 0.6682(11) 0.2603(3) 0.114(5) Uani 1 1 d . . .
H2A H 0.4531 0.6766 0.2441 0.137 Uiso 1 1 calc R . .
C3 C 0.4751(8) 0.6283(12) 0.2888(3) 0.121(6) Uani 1 1 d . . .
H3A H 0.4203 0.6064 0.2917 0.145 Uiso 1 1 calc R . .
C4 C 0.5346(6) 0.6188(8) 0.3138(3) 0.080(3) Uani 1 1 d . . .
H4A H 0.5207 0.5915 0.3335 0.096 Uiso 1 1 calc R . .
C5 C 0.6154(6) 0.6517(6) 0.3084(2) 0.054(2) Uani 1 1 d . . .
C6 C 0.6749(5) 0.6009(5) 0.3576(2) 0.0435(18) Uani 1 1 d . . .
C7 C 0.6517(6) 0.5144(5) 0.3558(2) 0.054(2) Uani 1 1 d . . .
H7A H 0.6329 0.4909 0.3361 0.065 Uiso 1 1 calc R . .
C8 C 0.6571(6) 0.4661(5) 0.3830(2) 0.058(2) Uani 1 1 d . . .
H8A H 0.6414 0.4088 0.3820 0.069 Uiso 1 1 calc R . .
C9 C 0.6852(5) 0.4995(5) 0.4123(2) 0.048(2) Uani 1 1 d . . .
C10 C 0.7072(4) 0.5859(4) 0.4125(2) 0.0426(19) Uani 1 1 d . . .
C11 C 0.6969(5) 0.4561(5) 0.4426(2) 0.051(2) Uani 1 1 d . . .
H11A H 0.6843 0.3980 0.4440 0.061 Uiso 1 1 calc R . .
C12 C 0.7254(5) 0.4967(4) 0.4686(2) 0.046(2) Uani 1 1 d . . .
H12A H 0.7333 0.4673 0.4883 0.055 Uiso 1 1 calc R . .
C13 C 0.7442(4) 0.5847(4) 0.4669(2) 0.0386(17) Uani 1 1 d . . .
C14 C 0.8209(4) 0.5991(4) 0.5172(2) 0.0412(18) Uani 1 1 d . . .
C15 C 0.8765(5) 0.5313(5) 0.5118(2) 0.048(2) Uani 1 1 d . . .
H15A H 0.8773 0.5030 0.4916 0.058 Uiso 1 1 calc R . .
C16 C 0.9292(5) 0.5072(5) 0.5363(2) 0.059(3) Uani 1 1 d . . .
H16A H 0.9675 0.4624 0.5333 0.071 Uiso 1 1 calc R . .
C17 C 0.9258(6) 0.5484(6) 0.5650(3) 0.062(3) Uani 1 1 d . . .
H17A H 0.9605 0.5316 0.5825 0.074 Uiso 1 1 calc R . .
C18 C 0.8720(5) 0.6142(5) 0.5684(2) 0.0467(19) Uani 1 1 d . . .
H18A H 0.8713 0.6428 0.5885 0.056 Uiso 1 1 calc R . .
P1 P 0.7500 0.2500 0.5000 0.0368(9) Uani 1 4 d S . .
F1 F 0.8257(3) 0.1846(3) 0.50001(12) 0.0528(12) Uani 1 1 d . . .
F2 F 0.7500 0.2500 0.46142(16) 0.0572(18) Uani 1 2 d S . .
C19 C 0.3809(11) 0.6540(7) 0.0828(3) 0.145(7) Uiso 1 1 d D . .
H19A H 0.3229 0.6684 0.0765 0.174 Uiso 0.60 1 calc PR A 1
H19B H 0.4044 0.6181 0.0656 0.174 Uiso 0.60 1 calc PR A 1
H19C H 0.3739 0.6449 0.0594 0.174 Uiso 0.40 1 calc PR A 2
H19D H 0.3252 0.6728 0.0904 0.174 Uiso 0.40 1 calc PR A 2
Cl3 Cl 0.3764(4) 0.5980(7) 0.11646(18) 0.140(4) Uani 0.60 1 d PD B 1
Cl3' Cl 0.3861(12) 0.5511(8) 0.0978(4) 0.179(7) Uiso 0.40 1 d PD B 2
Cl4 Cl 0.4384(3) 0.7454(3) 0.08405(12) 0.1269(16) Uani 1 1 d D B .
C20 C 0.5724(13) 0.8172(14) 0.1597(4) 0.162(9) Uani 1 1 d . . .
H20A H 0.5729 0.7938 0.1376 0.194 Uiso 1 1 calc R . .
H20B H 0.6171 0.7889 0.1721 0.194 Uiso 1 1 calc R . .
Cl5 Cl 0.4779(4) 0.7956(7) 0.17721(17) 0.234(4) Uani 1 1 d . . .
Cl6 Cl 0.5950(4) 0.9258(4) 0.15769(12) 0.172(3) Uani 1 1 d . . .
O1 O 0.2500 0.7500 0.2946(9) 0.319(18) Uiso 1 2 d S . .
H1 H 0.2618 0.7893 0.2988 0.479 Uiso 1 1 d . . .
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'
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'
P P 0.1023 0.0942 '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'
O O 0.0106 0.0060 '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
N1 Ni1 N1 89.15(5) 3_655 2_665 ?
N1 Ni1 N1 89.15(5) 3_655 . ?
N1 Ni1 N1 166.0(4) 2_665 . ?
N1 Ni1 N1 166.0(4) 3_655 4_565 ?
N1 Ni1 N1 89.15(5) 2_665 4_565 ?
N1 Ni1 N1 89.15(5) . 4_565 ?
N1 Ni1 Cl1 97.0(2) 3_655 . ?
N1 Ni1 Cl1 97.0(2) 2_665 . ?
N1 Ni1 Cl1 97.0(2) . . ?
N1 Ni1 Cl1 97.0(2) 4_565 . ?
N1 Ni1 Ni2 83.0(2) 3_655 . ?
N1 Ni1 Ni2 83.0(2) 2_665 . ?
N1 Ni1 Ni2 83.0(2) . . ?
N1 Ni1 Ni2 83.0(2) 4_565 . ?
Cl1 Ni1 Ni2 180.0 . . ?
N2 Ni2 N2 89.960(12) 3_655 . ?
N2 Ni2 N2 177.0(4) 3_655 4_565 ?
N2 Ni2 N2 89.960(12) . 4_565 ?
N2 Ni2 N2 89.960(12) 3_655 2_665 ?
N2 Ni2 N2 177.0(4) . 2_665 ?
N2 Ni2 N2 89.960(12) 4_565 2_665 ?
N2 Ni2 Ni3 88.5(2) 3_655 . ?
N2 Ni2 Ni3 88.5(2) . . ?
N2 Ni2 Ni3 88.5(2) 4_565 . ?
N2 Ni2 Ni3 88.5(2) 2_665 . ?
N2 Ni2 Ni1 91.5(2) 3_655 . ?
N2 Ni2 Ni1 91.5(2) . . ?
N2 Ni2 Ni1 91.5(2) 4_565 . ?
N2 Ni2 Ni1 91.5(2) 2_665 . ?
Ni3 Ni2 Ni1 180.0 . . ?
N3 Ni3 N3 89.997(3) . 3_655 ?
N3 Ni3 N3 89.997(4) . 4_565 ?
N3 Ni3 N3 179.1(4) 3_655 4_565 ?
N3 Ni3 N3 179.1(4) . 2_665 ?
N3 Ni3 N3 89.997(4) 3_655 2_665 ?
N3 Ni3 N3 89.997(4) 4_565 2_665 ?
N3 Ni3 Ni4 90.44(19) . . ?
N3 Ni3 Ni4 90.44(19) 3_655 . ?
N3 Ni3 Ni4 90.44(19) 4_565 . ?
N3 Ni3 Ni4 90.44(19) 2_665 . ?
N3 Ni3 Ni2 89.56(19) . . ?
N3 Ni3 Ni2 89.56(19) 3_655 . ?
N3 Ni3 Ni2 89.56(19) 4_565 . ?
N3 Ni3 Ni2 89.56(19) 2_665 . ?
Ni4 Ni3 Ni2 180.0 . . ?
N4 Ni4 N4 179.0(4) 3_655 4_565 ?
N4 Ni4 N4 89.996(4) 3_655 . ?
N4 Ni4 N4 89.996(4) 4_565 . ?
N4 Ni4 N4 89.996(4) 3_655 2_665 ?
N4 Ni4 N4 89.996(4) 4_565 2_665 ?
N4 Ni4 N4 179.0(4) . 2_665 ?
N4 Ni4 Ni3 90.49(19) 3_655 . ?
N4 Ni4 Ni3 90.49(19) 4_565 . ?
N4 Ni4 Ni3 90.49(19) . . ?
N4 Ni4 Ni3 90.49(19) 2_665 . ?
N4 Ni4 Ni5 89.51(19) 3_655 . ?
N4 Ni4 Ni5 89.51(19) 4_565 . ?
N4 Ni4 Ni5 89.51(19) . . ?
N4 Ni4 Ni5 89.51(19) 2_665 . ?
Ni3 Ni4 Ni5 180.0 . . ?
N5 Ni5 N5 89.960(12) . 4_565 ?
N5 Ni5 N5 89.960(12) . 3_655 ?
N5 Ni5 N5 177.0(4) 4_565 3_655 ?
N5 Ni5 N5 177.0(4) . 2_665 ?
N5 Ni5 N5 89.959(12) 4_565 2_665 ?
N5 Ni5 N5 89.959(12) 3_655 2_665 ?
N5 Ni5 Ni4 88.5(2) . . ?
N5 Ni5 Ni4 88.5(2) 4_565 . ?
N5 Ni5 Ni4 88.5(2) 3_655 . ?
N5 Ni5 Ni4 88.5(2) 2_665 . ?
N5 Ni5 Ni6 91.5(2) . . ?
N5 Ni5 Ni6 91.5(2) 4_565 . ?
N5 Ni5 Ni6 91.5(2) 3_655 . ?
N5 Ni5 Ni6 91.5(2) 2_665 . ?
Ni4 Ni5 Ni6 180.0 . . ?
N6 Ni6 N6 164.8(4) 4_565 3_655 ?
N6 Ni6 N6 89.00(5) 4_565 . ?
N6 Ni6 N6 89.00(5) 3_655 . ?
N6 Ni6 N6 89.00(5) 4_565 2_665 ?
N6 Ni6 N6 89.00(5) 3_655 2_665 ?
N6 Ni6 N6 164.8(4) . 2_665 ?
N6 Ni6 Cl2 97.6(2) 4_565 . ?
N6 Ni6 Cl2 97.6(2) 3_655 . ?
N6 Ni6 Cl2 97.6(2) . . ?
N6 Ni6 Cl2 97.6(2) 2_665 . ?
N6 Ni6 Ni5 82.4(2) 4_565 . ?
N6 Ni6 Ni5 82.4(2) 3_655 . ?
N6 Ni6 Ni5 82.4(2) . . ?
N6 Ni6 Ni5 82.4(2) 2_665 . ?
Cl2 Ni6 Ni5 180.0 . . ?
C1 N1 C5 119.7(8) . . ?
C1 N1 Ni1 120.1(7) . . ?
C5 N1 Ni1 119.8(6) . . ?
C6 N2 C5 121.1(7) . . ?
C6 N2 Ni2 121.8(5) . . ?
C5 N2 Ni2 116.2(6) . . ?
C6 N3 C10 121.2(6) . . ?
C6 N3 Ni3 119.2(5) . . ?
C10 N3 Ni3 119.3(5) . . ?
C13 N4 C10 121.3(6) . . ?
C13 N4 Ni4 118.6(5) . . ?
C10 N4 Ni4 119.9(5) . . ?
C13 N5 C14 122.2(6) . . ?
C13 N5 Ni5 121.0(5) . . ?
C14 N5 Ni5 116.0(5) . . ?
C18 N6 C14 118.4(7) . . ?
C18 N6 Ni6 120.2(6) . . ?
C14 N6 Ni6 121.2(5) . . ?
N1 C1 C2 123.6(11) . . ?
C3 C2 C1 117.4(12) . . ?
C2 C3 C4 122.0(11) . . ?
C5 C4 C3 117.2(11) . . ?
N2 C5 N1 116.7(7) . . ?
N2 C5 C4 123.1(9) . . ?
N1 C5 C4 119.9(9) . . ?
N3 C6 N2 115.0(7) . . ?
N3 C6 C7 120.1(8) . . ?
N2 C6 C7 124.7(8) . . ?
C8 C7 C6 118.9(8) . . ?
C7 C8 C9 121.3(8) . . ?
C8 C9 C10 117.0(8) . . ?
C8 C9 C11 127.7(7) . . ?
C10 C9 C11 115.3(8) . . ?
N4 C10 N3 116.1(6) . . ?
N4 C10 C9 122.5(8) . . ?
N3 C10 C9 121.4(8) . . ?
C12 C11 C9 120.7(7) . . ?
C11 C12 C13 120.4(8) . . ?
N4 C13 N5 116.3(6) . . ?
N4 C13 C12 119.7(7) . . ?
N5 C13 C12 123.9(8) . . ?
N6 C14 N5 116.8(6) . . ?
N6 C14 C15 120.5(7) . . ?
N5 C14 C15 122.4(8) . . ?
C16 C15 C14 118.6(9) . . ?
C17 C16 C15 119.2(8) . . ?
C16 C17 C18 119.1(9) . . ?
N6 C18 C17 124.1(9) . . ?
F1 P1 F1 180.0(4) 11_666 12_656 ?
F1 P1 F1 90.000(1) 11_666 . ?
F1 P1 F1 90.000(2) 12_656 . ?
F1 P1 F1 90.000(2) 11_666 2_655 ?
F1 P1 F1 90.000(1) 12_656 2_655 ?
F1 P1 F1 180.0(4) . 2_655 ?
F1 P1 F2 90.01(18) 11_666 11_666 ?
F1 P1 F2 90.01(18) 12_656 11_666 ?
F1 P1 F2 89.99(18) . 11_666 ?
F1 P1 F2 89.99(18) 2_655 11_666 ?
F1 P1 F2 89.99(18) 11_666 . ?
F1 P1 F2 89.99(18) 12_656 . ?
F1 P1 F2 90.01(18) . . ?
F1 P1 F2 90.01(18) 2_655 . ?
F2 P1 F2 180.000(2) 11_666 . ?
Cl3 C19 Cl4 117.1(8) . . ?
Cl3 C19 Cl3' 37.0(6) . . ?
Cl4 C19 Cl3' 139.0(11) . . ?
Cl5 C20 Cl6 113.4(10) . . ?
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 N1 2.095(7) 3_655 ?
Ni1 N1 2.095(7) 2_665 ?
Ni1 N1 2.095(7) . ?
Ni1 N1 2.095(7) 4_565 ?
Ni1 Cl1 2.325(5) . ?
Ni1 Ni2 2.404(3) . ?
Ni2 N2 1.924(6) 3_655 ?
Ni2 N2 1.924(6) . ?
Ni2 N2 1.924(6) 4_565 ?
Ni2 N2 1.924(6) 2_665 ?
Ni2 Ni3 2.283(3) . ?
Ni3 N3 2.013(6) . ?
Ni3 N3 2.013(6) 3_655 ?
Ni3 N3 2.013(6) 4_565 ?
Ni3 N3 2.013(6) 2_665 ?
Ni3 Ni4 2.202(3) . ?
Ni4 N4 2.004(6) 3_655 ?
Ni4 N4 2.004(6) 4_565 ?
Ni4 N4 2.004(6) . ?
Ni4 N4 2.004(6) 2_665 ?
Ni4 Ni5 2.286(3) . ?
Ni5 N5 1.916(6) . ?
Ni5 N5 1.916(6) 4_565 ?
Ni5 N5 1.916(6) 3_655 ?
Ni5 N5 1.916(6) 2_665 ?
Ni5 Ni6 2.418(3) . ?
Ni6 N6 2.107(6) 4_565 ?
Ni6 N6 2.107(6) 3_655 ?
Ni6 N6 2.107(6) . ?
Ni6 N6 2.107(6) 2_665 ?
Ni6 Cl2 2.346(4) . ?
N1 C1 1.326(12) . ?
N1 C5 1.403(12) . ?
N2 C6 1.370(10) . ?
N2 C5 1.376(11) . ?
N3 C6 1.337(10) . ?
N3 C10 1.354(10) . ?
N4 C13 1.328(10) . ?
N4 C10 1.348(10) . ?
N5 C13 1.368(10) . ?
N5 C14 1.405(10) . ?
N6 C18 1.311(10) . ?
N6 C14 1.351(10) . ?
C1 C2 1.388(16) . ?
C2 C3 1.376(18) . ?
C3 C4 1.416(17) . ?
C4 C5 1.411(13) . ?
C6 C7 1.433(11) . ?
C7 C8 1.368(13) . ?
C8 C9 1.400(12) . ?
C9 C10 1.424(10) . ?
C9 C11 1.446(12) . ?
C11 C12 1.338(12) . ?
C12 C13 1.438(10) . ?
C14 C15 1.418(10) . ?
C15 C16 1.376(12) . ?
C16 C17 1.360(14) . ?
C17 C18 1.364(12) . ?
P1 F1 1.598(4) 11_666 ?
P1 F1 1.598(4) 12_656 ?
P1 F1 1.598(4) . ?
P1 F1 1.598(4) 2_655 ?
P1 F2 1.599(7) 11_666 ?
P1 F2 1.599(7) . ?
C19 Cl3 1.657(9) . ?
C19 Cl4 1.725(9) . ?
C19 Cl3' 1.758(9) . ?
C20 Cl5 1.710(19) . ?
C20 Cl6 1.77(2) . ?
