#------------------------------------------------------------------------------
#$Date: 2015-12-10 14:39:00 +0200 (Thu, 10 Dec 2015) $
#$Revision: 171417 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/81/7118150.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_7118150
loop_
_publ_author_name
'Vladimir Bulicanu'
'Kasper S. Pedersen'
'Mathieu Rouzieres'
'Jesper Bendix'
'Pierre Dechambenoit'
'Rodolphe Clerac'
'Elizabeth A. Hillard'
_publ_section_title
;
 One-dimensional coordination polymers of [Co3(dpa)4]²⁺ and [MF6]²⁻ (M
 = ReIV, ZrIV and SnIV)
;
_journal_name_full               Chem.Commun.
_journal_page_first              17748
_journal_paper_doi               10.1039/C5cc06704A
_journal_volume                  51
_journal_year                    2015
_chemical_compound_source        no
_chemical_formula_moiety         C40H32Co3F6N12Re,2(ONC3H7)
_chemical_formula_sum            'C46 H46 Co3 F6 N14 O2 Re'
_chemical_formula_weight         1303.96
_chemical_melting_point          ?
_chemical_name_common            'catena-[Co3(dpa)4(ReF6)] DMF solvate'
_chemical_properties_physical    Moisture-sensitive
_space_group_crystal_system      tetragonal
_space_group_IT_number           130
_space_group_name_Hall           '-P 4a 2ac'
_space_group_name_H-M_alt        'P 4/n c c'
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-07-29 deposited with the CCDC.
2015-10-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6578(4)
_cell_length_b                   13.6578(4)
_cell_length_c                   25.5535(7)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.13
_cell_measurement_theta_min      2.98
_cell_volume                     4766.6(2)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXS-2013
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0124
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            54328
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.180
_diffrn_reflns_theta_min         2.109
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.637
_exptl_absorpt_correction_T_max  0.6938
_exptl_absorpt_correction_T_min  0.5322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2584
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'liquid-liquid diffusion of starting materials'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         2391
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0287P)²+15.7934P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0819
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                1755
_reflns_number_total             2391
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc06704a2.cif
_cod_data_source_block           compound_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4093 2015-10-18 17:28:56Z antanas 
;
_cod_original_cell_volume        4766.6(3)
_cod_database_code               7118150
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'x+1/2, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y+1/2, z'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'-x-1/2, y, z-1/2'
'x, -y-1/2, z-1/2'
'x-1/2, y-1/2, -z'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.2500 0.2500 0.79838(2) 0.02244(12) Uani 1 4 d S T P . .
Co1 Co 0.2500 0.2500 0.95792(3) 0.0150(2) Uani 1 4 d S T P B .
Co2 Co 0.2500 0.2500 0.63591(4) 0.0189(2) Uani 1 4 d S T P . .
Co3 Co 0.2500 0.2500 1.04676(3) 0.0179(2) Uani 1 4 d S T P . .
F1 F 0.2500 0.2500 0.87516(15) 0.0266(10) Uani 1 4 d S T P . .
N3 N 0.3490(3) 0.1465(3) 0.63259(11) 0.0238(7) Uani 1 1 d . . . . .
F3 F 0.1602(2) 0.3592(2) 0.79931(10) 0.0576(10) Uani 1 1 d . . . . .
N1 N 0.2556(3) 0.1075(2) 0.96092(11) 0.0211(7) Uani 1 1 d . . . . .
C4 C 0.2460(4) -0.0470(3) 0.91830(17) 0.0436(12) Uani 1 1 d . . . . .
H4 H 0.2341 -0.0832 0.8872 0.052 Uiso 1 1 calc R U . A 1
C5A C 0.2343(4) 0.0521(4) 0.9192(2) 0.0229(14) Uani 0.8 1 d . . P B 1
H5A H 0.2097 0.0834 0.8888 0.028 Uiso 0.8 1 calc R U P B 1
C7A C 0.4659(5) 0.0491(5) 0.5850(3) 0.035(2) Uani 0.8 1 d . . P C 1
H7A H 0.5003 0.0366 0.5534 0.043 Uiso 0.8 1 calc R U P C 1
C8A C 0.4817(6) -0.0094(5) 0.6282(4) 0.0364(19) Uani 0.8 1 d . . P C 1
H8A H 0.5249 -0.0638 0.6264 0.044 Uiso 0.8 1 calc R U P C 1
F2 F 0.2500 0.2500 0.72127(16) 0.0312(11) Uani 1 4 d S T P . .
N2A N 0.3114(3) 0.1240(3) 1.04639(14) 0.0217(8) Uani 0.8 1 d . . P B 1
C1A C 0.2917(4) 0.0621(4) 1.00531(19) 0.0236(10) Uani 0.8 1 d . . P B 1
C2A C 0.2980(5) -0.0408(4) 1.0062(2) 0.0398(14) Uani 0.8 1 d . . P B 1
H2A H 0.3182 -0.0735 1.0372 0.048 Uiso 0.8 1 calc R U P B 1
C3A C 0.2753(4) -0.0931(6) 0.9629(3) 0.0343(15) Uani 0.8 1 d . . P B 1
H3A H 0.2798 -0.1625 0.9636 0.041 Uiso 0.8 1 calc R U P B 1
C6A C 0.3989(4) 0.1273(4) 0.58767(19) 0.0237(12) Uani 0.8 1 d . . P C 1
C9A C 0.4330(6) 0.0131(5) 0.6743(3) 0.0510(19) Uani 0.8 1 d . . P C 1
H9A H 0.4459 -0.0229 0.7054 0.061 Uiso 0.8 1 calc R U P C 1
C10A C 0.3666(6) 0.0875(5) 0.6744(2) 0.0398(16) Uani 0.8 1 d . . P C 1
H10A H 0.3303 0.0988 0.7056 0.048 Uiso 0.8 1 calc R U P C 1
N2B N 0.3797(13) 0.1968(13) 1.0462(6) 0.0217(8) Uani 0.2 1 d . . P B .
C1B C 0.2201(16) 0.0604(16) 1.0052(8) 0.0236(10) Uani 0.2 1 d . . P B 2
C2B C 0.2153(16) -0.0390(17) 1.0063(9) 0.0398(14) Uani 0.2 1 d . . P B 2
H2B H 0.1983 -0.0694 1.0385 0.048 Uiso 0.2 1 calc R U P B 2
C10B C 0.406(2) 0.131(2) 0.6736(11) 0.0398(16) Uani 0.2 1 d . . P C 2
H10B H 0.3973 0.1718 0.7035 0.048 Uiso 0.2 1 calc R U P C 2
C6B C 0.3577(17) 0.0902(17) 0.5876(8) 0.0237(12) Uani 0.2 1 d . . P C 2
C9B C 0.476(3) 0.062(2) 0.6753(12) 0.0510(19) Uani 0.2 1 d . . P C 2
H9B H 0.5052 0.0427 0.7073 0.061 Uiso 0.2 1 calc R U P C 2
C3B C 0.2330(17) -0.096(3) 0.9652(15) 0.0343(15) Uani 0.2 1 d . . P B 2
H3B H 0.2364 -0.1656 0.9679 0.041 Uiso 0.2 1 calc R U P B 2
C5B C 0.2752(18) 0.057(2) 0.9201(11) 0.0229(14) Uani 0.2 1 d . . P B 2
H5B H 0.3082 0.0857 0.8913 0.028 Uiso 0.2 1 calc R U P B 2
C8B C 0.502(3) 0.023(2) 0.6301(17) 0.0364(19) Uani 0.2 1 d . . P C 2
H8B H 0.5651 -0.0059 0.6265 0.044 Uiso 0.2 1 calc R U P C 2
C7B C 0.435(2) 0.024(3) 0.5853(15) 0.035(2) Uani 0.2 1 d . . P C 2
H7B H 0.4434 -0.0185 0.5563 0.043 Uiso 0.2 1 calc R U P C 2
O1 O 0.2573(14) -0.2008(14) 1.1502(6) 0.169(8) Uani 0.5 1 d . U P . .
C11 C 0.2858(14) -0.0742(11) 1.2671(5) 0.215(7) Uani 1 1 d . U . . .
N5 N 0.319(2) -0.1464(15) 1.2244(6) 0.156(7) Uani 0.5 1 d . U P . .
C12 C 0.2563(18) -0.141(2) 1.1854(8) 0.139(7) Uani 0.5 1 d . U P . .
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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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'
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
F3 Re1 F3 178.59(15) 3 2
F3 Re1 F3 89.991(2) 3 6
F3 Re1 F3 89.991(2) 2 6
F3 Re1 F3 89.991(3) 3 .
F3 Re1 F3 89.992(2) 2 .
F3 Re1 F3 178.59(15) 6 .
F3 Re1 F1 89.30(7) 3 .
F3 Re1 F1 89.30(7) 2 .
F3 Re1 F1 89.30(7) 6 .
F3 Re1 F1 89.30(7) . .
F3 Re1 F2 90.70(7) 3 .
F3 Re1 F2 90.70(7) 2 .
F3 Re1 F2 90.70(7) 6 .
F3 Re1 F2 90.70(7) . .
F1 Re1 F2 180.0 . .
N1 Co1 N1 89.911(8) 2 6
N1 Co1 N1 175.49(18) 2 3
N1 Co1 N1 89.911(7) 6 3
N1 Co1 N1 89.912(7) 2 .
N1 Co1 N1 175.49(18) 6 .
N1 Co1 N1 89.910(8) 3 .
N1 Co1 F1 92.25(9) 2 .
N1 Co1 F1 92.25(9) 6 .
N1 Co1 F1 92.25(9) 3 .
N1 Co1 F1 92.25(9) . .
N1 Co1 Co3 87.75(9) 2 .
N1 Co1 Co3 87.75(9) 6 .
N1 Co1 Co3 87.75(9) 3 .
N1 Co1 Co3 87.75(9) . .
F1 Co1 Co3 180.0 . .
N3 Co2 N3 89.890(8) . 3
N3 Co2 N3 89.893(8) . 2
N3 Co2 N3 175.02(17) 3 2
N3 Co2 N3 175.02(17) . 6
N3 Co2 N3 89.892(8) 3 6
N3 Co2 N3 89.892(8) 2 6
N3 Co2 F2 92.49(9) . .
N3 Co2 F2 92.49(9) 3 .
N3 Co2 F2 92.49(9) 2 .
N3 Co2 F2 92.49(9) 6 .
N3 Co2 Co3 87.51(9) . 12_655
N3 Co2 Co3 87.51(9) 3 12_655
N3 Co2 Co3 87.51(9) 2 12_655
N3 Co2 Co3 87.51(9) 6 12_655
F2 Co2 Co3 180.0 . 12_655
N2B Co3 N2B 89.997(10) . 3
N2B Co3 N2B 89.997(12) . 2
N2B Co3 N2B 179.2(9) 3 2
N2B Co3 N2B 179.2(9) . 6
N2B Co3 N2B 89.997(13) 3 6
N2B Co3 N2B 89.997(8) 2 6
N2B Co3 N2A 131.7(5) . 3
N2B Co3 N2A 41.7(5) 3 3
N2B Co3 N2A 138.3(5) 2 3
N2B Co3 N2A 48.3(5) 6 3
N2B Co3 N2A 48.3(5) . 2
N2B Co3 N2A 138.3(5) 3 2
N2B Co3 N2A 41.7(5) 2 2
N2B Co3 N2A 131.7(5) 6 2
N2A Co3 N2A 179.4(2) 3 2
N2B Co3 N2A 138.3(5) . 6
N2B Co3 N2A 131.7(5) 3 6
N2B Co3 N2A 48.3(5) 2 6
N2B Co3 N2A 41.7(5) 6 6
N2A Co3 N2A 89.999(2) 3 6
N2A Co3 N2A 89.999(3) 2 6
N2B Co3 N2A 41.7(5) . .
N2B Co3 N2A 48.3(5) 3 .
N2B Co3 N2A 131.7(5) 2 .
N2B Co3 N2A 138.3(5) 6 .
N2A Co3 N2A 89.998(3) 3 .
N2A Co3 N2A 89.999(2) 2 .
N2A Co3 N2A 179.4(2) 6 .
N2B Co3 Co1 89.6(4) . .
N2B Co3 Co1 89.6(4) 3 .
N2B Co3 Co1 89.6(4) 2 .
N2B Co3 Co1 89.6(4) 6 .
N2A Co3 Co1 89.72(11) 3 .
N2A Co3 Co1 89.72(11) 2 .
N2A Co3 Co1 89.72(11) 6 .
N2A Co3 Co1 89.72(11) . .
N2B Co3 Co2 90.4(4) . 12_656
N2B Co3 Co2 90.4(4) 3 12_656
N2B Co3 Co2 90.4(4) 2 12_656
N2B Co3 Co2 90.4(4) 6 12_656
N2A Co3 Co2 90.28(11) 3 12_656
N2A Co3 Co2 90.28(11) 2 12_656
N2A Co3 Co2 90.28(11) 6 12_656
N2A Co3 Co2 90.28(11) . 12_656
Co1 Co3 Co2 180.0 . 12_656
Re1 F1 Co1 180.0 . .
C10A N3 C6A 117.4(4) . .
C10B N3 C6B 121.3(17) . .
C10B N3 Co2 119.0(14) . .
C10A N3 Co2 121.0(4) . .
C6A N3 Co2 121.5(3) . .
C6B N3 Co2 119.7(9) . .
C5A N1 C1A 118.5(4) . .
C5B N1 C1B 119.0(16) . .
C5B N1 Co1 121.1(13) . .
C5A N1 Co1 121.6(3) . .
C1A N1 Co1 119.6(3) . .
C1B N1 Co1 118.7(9) . .
C3A C4 C5A 118.6(5) . .
C3B C4 C5B 118(2) . .
C3A C4 H4 120.7 . .
C5A C4 H4 120.7 . .
N1 C5A C4 123.3(5) . .
N1 C5A H5A 118.3 . .
C4 C5A H5A 118.3 . .
C8A C7A C6A 120.1(7) . .
C8A C7A H7A 119.9 . .
C6A C7A H7A 119.9 . .
C7A C8A C9A 118.4(7) . .
C7A C8A H8A 120.8 . .
C9A C8A H8A 120.8 . .
Re1 F2 Co2 180.0 . .
N2B N2A C1A 125.4(8) . .
N2B N2A C6A 75.7(7) . 15_666
C1A N2A C6A 124.2(5) . 15_666
N2B N2A N2B 135.0(13) . 3
C1A N2A N2B 77.5(7) . 3
C6A N2A N2B 126.9(7) 15_666 3
N2B N2A Co3 69.1(7) . .
C1A N2A Co3 118.1(3) . .
C6A N2A Co3 117.7(3) 15_666 .
N2B N2A Co3 65.9(7) 3 .
N2A C1A N1 114.8(4) . .
N2A C1A C2A 126.1(5) . .
N1 C1A C2A 118.9(5) . .
N2A C1A N2B 55.9(5) . 3
N1 C1A N2B 91.2(6) . 3
C2A C1A N2B 117.6(7) . 3
C3A C2A C1A 119.9(6) . .
C3A C2A H2A 120.0 . .
C1A C2A H2A 120.0 . .
C2A C3A C4 120.5(7) . .
C2A C3A H3A 119.7 . .
C4 C3A H3A 119.7 . .
N3 C6A N2A 114.4(4) . 15_665
N3 C6A C7A 120.8(5) . .
N2A C6A C7A 124.7(5) 15_665 .
N3 C6A N2B 98.8(6) . 15_665
N2A C6A N2B 51.6(6) 15_665 15_665
C7A C6A N2B 115.5(7) . 15_665
C10A C9A C8A 119.1(6) . .
C10A C9A H9A 120.5 . .
C8A C9A H9A 120.5 . .
N3 C10A C9A 123.9(6) . .
N3 C10A H10A 118.0 . .
C9A C10A H10A 118.0 . .
C6B N2B C1B 123.0(19) 15_666 2
N2A N2B N2A 135.0(13) . 2
N2A N2B C6A 52.6(6) . 15_666
N2A N2B C6A 140.5(10) 2 15_666
N2A N2B C1A 144.0(11) . 2
N2A N2B C1A 46.6(5) 2 2
C6A N2B C1A 157.7(11) 15_666 2
C6B N2B Co3 118.8(14) 15_666 .
N2A N2B Co3 69.1(8) . .
C1B N2B Co3 118.1(14) 2 .
N2A N2B Co3 65.9(6) 2 .
C6A N2B Co3 103.7(9) 15_666 .
C1A N2B Co3 97.8(8) 2 .
C2B C1B N2B 125(2) . 3
C2B C1B N1 119.8(19) . .
N2B C1B N1 115.4(17) 3 .
C3B C2B C1B 124(3) . .
C3B C2B H2B 117.9 . .
C1B C2B H2B 117.9 . .
N3 C10B C9B 124(3) . .
N3 C10B H10B 118.2 . .
C9B C10B H10B 118.2 . .
N2B C6B N3 115.5(18) 15_665 .
N2B C6B C7B 125(2) 15_665 .
N3 C6B C7B 117(2) . .
C8B C9B C10B 117(3) . .
C8B C9B H9B 121.7 . .
C10B C9B H9B 121.7 . .
C2B C3B C4 115(3) . .
C2B C3B H3B 122.6 . .
C4 C3B H3B 122.6 . .
N1 C5B C4 119(2) . .
N1 C5B H5B 120.3 . .
C4 C5B H5B 120.3 . .
C9B C8B C7B 120(4) . .
C9B C8B H8B 119.8 . .
C7B C8B H8B 119.8 . .
C6B C7B C8B 117(3) . .
C6B C7B H7B 121.7 . .
C8B C7B H7B 121.7 . .
C12 O1 O1 131.5(17) . 6_545
N5 C11 N5 52.7(13) . 7_547
C12 N5 N5 154.1(17) . 7_547
C12 N5 C11 108(2) . .
N5 N5 C11 70.5(14) 7_547 .
C12 N5 C11 132.0(19) . 7_547
N5 N5 C11 56.8(16) 7_547 7_547
C11 N5 C11 120.1(17) . 7_547
O1 C12 N5 121(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 F3 1.931(3) 3
Re1 F3 1.931(3) 2
Re1 F3 1.931(3) 6
Re1 F3 1.931(3) .
Re1 F1 1.962(4) .
Re1 F2 1.970(4) .
Co1 N1 1.950(3) 2
Co1 N1 1.950(3) 6
Co1 N1 1.950(3) 3
Co1 N1 1.950(3) .
Co1 F1 2.115(4) .
Co1 Co3 2.2701(12) .
Co2 N3 1.958(3) .
Co2 N3 1.958(3) 3
Co2 N3 1.958(3) 2
Co2 N3 1.958(3) 6
Co2 F2 2.181(4) .
Co2 Co3 2.2782(12) 12_655
Co3 N2B 1.915(17) .
Co3 N2B 1.915(17) 3
Co3 N2B 1.915(17) 2
Co3 N2B 1.915(17) 6
Co3 N2A 1.915(4) 3
Co3 N2A 1.915(4) 2
Co3 N2A 1.915(4) 6
Co3 N2A 1.915(4) .
Co3 Co2 2.2783(12) 12_656
N3 C10B 1.32(3) .
N3 C10A 1.360(7) .
N3 C6A 1.361(6) .
N3 C6B 1.39(2) .
N1 C5B 1.28(3) .
N1 C5A 1.339(7) .
N1 C1A 1.384(6) .
N1 C1B 1.39(2) .
C4 C3A 1.361(9) .
C4 C5A 1.363(8) .
C4 C3B 1.39(4) .
C4 C5B 1.47(3) .
C4 H4 0.9500 .
C5A H5A 0.9500 .
C7A C8A 1.380(12) .
C7A C6A 1.408(9) .
C7A H7A 0.9500 .
C8A C9A 1.388(12) .
C8A H8A 0.9500 .
N2A N2B 1.364(18) .
N2A C1A 1.374(6) .
N2A C6A 1.383(6) 15_666
N2A N2B 1.566(17) 3
C1A C2A 1.407(8) .
C1A N2B 1.846(18) 3
C2A C3A 1.354(10) .
C2A H2A 0.9500 .
C3A H3A 0.9500 .
C6A N2A 1.383(6) 15_665
C6A N2B 1.686(17) 15_665
C9A C10A 1.363(10) .
C9A H9A 0.9500 .
C10A H10A 0.9500 .
N2B C6B 1.36(3) 15_666
N2B C1B 1.37(3) 2
N2B N2A 1.566(17) 2
N2B C6A 1.686(17) 15_666
N2B C1A 1.846(18) 2
C1B C2B 1.36(3) .
C1B N2B 1.37(3) 3
C2B C3B 1.33(5) .
C2B H2B 0.9500 .
C10B C9B 1.34(5) .
C10B H10B 0.9500 .
C6B N2B 1.36(3) 15_665
C6B C7B 1.39(4) .
C9B C8B 1.32(5) .
C9B H9B 0.9500 .
C3B H3B 0.9500 .
C5B H5B 0.9500 .
C8B C7B 1.47(6) .
C8B H8B 0.9500 .
C7B H7B 0.9500 .
O1 C12 1.21(2) .
O1 O1 1.36(4) 6_545
C11 N5 1.54(2) .
C11 N5 1.74(3) 7_547
N5 C12 1.32(3) .
N5 N5 1.46(4) 7_547
N5 C11 1.74(3) 7_547
