#------------------------------------------------------------------------------
#$Date: 2015-12-10 13:39:00 +0100 (jue 10 de dic de 2015) $
#$Revision: 171417 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/81/7118152.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_7118152
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         C40H32Co3F6N12Sn,2(ONC3H7)
_chemical_formula_sum            'C46 H46 Co3 F6 N14 O2 Sn'
_chemical_formula_weight         1236.45
_chemical_melting_point          ?
_chemical_name_common            'catena-[Co3(dpa)4(SnF6)] 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                   13.6633(12)
_cell_length_b                   13.6633(12)
_cell_length_c                   25.701(2)
_cell_measurement_reflns_used    8090
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.18
_cell_volume                     4798.0(7)
_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 0.998
_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  0.0585
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            63608
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.414
_diffrn_reflns_theta_min         2.108
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.613
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2484
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'liquid-liquid diffusion of starting materials'
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.461
_refine_diff_density_min         -1.055
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         2469
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0382P)²+23.4599P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1163
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                1631
_reflns_number_total             2469
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc06704a2.cif
_cod_data_source_block           compound_3_Sn
_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        4798.1(9)
_cod_database_code               7118152
_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
Sn1 Sn 0.2500 0.2500 0.79851(2) 0.02538(18) Uani 1 4 d S T P . .
Co1 Co 0.2500 0.2500 0.95826(4) 0.0165(2) Uani 1 4 d S T P B .
Co2 Co 0.2500 0.2500 0.63579(4) 0.0197(2) Uani 1 4 d S T P . .
Co3 Co 0.2500 0.2500 1.04676(4) 0.0197(2) Uani 1 4 d S T P . .
F1 F 0.2500 0.2500 0.87641(15) 0.0263(10) Uani 1 4 d S T P . .
N3 N 0.3481(3) 0.1454(3) 0.63204(11) 0.0242(7) Uani 1 1 d . . . . .
F3 F 0.1642(3) 0.3620(3) 0.79926(10) 0.0589(10) Uani 1 1 d . . . . .
N1 N 0.2569(3) 0.1078(2) 0.96149(11) 0.0226(7) Uani 1 1 d . . . . .
C4 C 0.2451(5) -0.0470(3) 0.91905(17) 0.0405(12) Uani 1 1 d . . . . .
H4 H 0.2315 -0.0834 0.8884 0.049 Uiso 1 1 calc R U . A 1
C5A C 0.2319(4) 0.0526(6) 0.9200(3) 0.0229(14) Uani 0.8 1 d . . P B 1
H5A H 0.2043 0.0838 0.8904 0.027 Uiso 0.8 1 calc R U P B 1
C7A C 0.4656(5) 0.0489(6) 0.5845(3) 0.032(2) Uani 0.8 1 d . . P C 1
H7A H 0.5003 0.0363 0.5532 0.039 Uiso 0.8 1 calc R U P C 1
C8A C 0.4796(9) -0.0117(6) 0.6282(5) 0.039(2) Uani 0.8 1 d . . P C 1
H8A H 0.5228 -0.0661 0.6267 0.046 Uiso 0.8 1 calc R U P C 1
F2 F 0.2500 0.2500 0.72034(16) 0.0286(11) Uani 1 4 d S T P . .
N2A N 0.3118(3) 0.1241(3) 1.04640(15) 0.0215(8) Uani 0.8 1 d . . P B 1
C1A C 0.2945(4) 0.0625(4) 1.0057(2) 0.0222(11) Uani 0.8 1 d . . P B 1
C2A C 0.3026(4) -0.0402(4) 1.0063(2) 0.0306(13) Uani 0.8 1 d . . P B 1
H2A H 0.3249 -0.0722 1.0369 0.037 Uiso 0.8 1 calc R U P B 1
C3A C 0.2788(4) -0.0942(7) 0.9636(4) 0.0310(15) Uani 0.8 1 d . . P B 1
H3A H 0.2851 -0.1634 0.9643 0.037 Uiso 0.8 1 calc R U P B 1
C6A C 0.3995(5) 0.1286(5) 0.5874(2) 0.0243(13) Uani 0.8 1 d . . P C 1
C9A C 0.4288(6) 0.0099(6) 0.6737(3) 0.0447(19) Uani 0.8 1 d . . P C 1
H9A H 0.4396 -0.0274 0.7043 0.054 Uiso 0.8 1 calc R U P C 1
C10A C 0.3632(6) 0.0856(5) 0.6737(3) 0.0359(15) Uani 0.8 1 d . . P C 1
H10A H 0.3262 0.0971 0.7044 0.043 Uiso 0.8 1 calc R U P C 1
N2B N 0.3790(14) 0.1969(13) 1.0464(6) 0.0215(8) Uani 0.2 1 d . . P B .
C1B C 0.2292(16) 0.0622(17) 1.0059(8) 0.0222(11) Uani 0.2 1 d . . P B 2
C2B C 0.2266(15) -0.0389(18) 1.0072(9) 0.0306(13) Uani 0.2 1 d . . P B 2
H2B H 0.2150 -0.0727 1.0389 0.037 Uiso 0.2 1 calc R U P B 2
C10B C 0.401(3) 0.120(2) 0.6744(13) 0.0359(15) Uani 0.2 1 d . . P C 2
H10B H 0.3882 0.1525 0.7064 0.043 Uiso 0.2 1 calc R U P C 2
C6B C 0.370(2) 0.097(2) 0.5869(12) 0.0243(13) Uani 0.2 1 d . . P C 2
C9B C 0.471(3) 0.050(2) 0.6730(12) 0.0447(19) Uani 0.2 1 d . . P C 2
H9B H 0.5012 0.0270 0.7037 0.054 Uiso 0.2 1 calc R U P C 2
C3B C 0.2408(18) -0.089(3) 0.9622(18) 0.0310(15) Uani 0.2 1 d . . P B 2
H3B H 0.2478 -0.1578 0.9636 0.037 Uiso 0.2 1 calc R U P B 2
C5B C 0.2673(19) 0.054(3) 0.9210(15) 0.0229(14) Uani 0.2 1 d . . P B 2
H5B H 0.2914 0.0844 0.8903 0.027 Uiso 0.2 1 calc R U P B 2
C8B C 0.494(5) 0.016(3) 0.627(3) 0.039(2) Uani 0.2 1 d . . P C 2
H8B H 0.5548 -0.0169 0.6223 0.046 Uiso 0.2 1 calc R U P C 2
C7B C 0.437(3) 0.027(3) 0.5868(17) 0.032(2) Uani 0.2 1 d . . P C 2
H7B H 0.4435 -0.0154 0.5576 0.039 Uiso 0.2 1 calc R U P C 2
O1 O 0.2604(17) -0.2083(15) 1.1517(5) 0.163(9) Uani 0.5 1 d . U P . .
C11 C 0.2943(12) -0.0768(9) 1.2675(4) 0.162(5) Uani 1 1 d . U . . .
N5 N 0.3254(15) -0.1463(13) 1.2253(5) 0.114(5) Uani 0.5 1 d . U P . .
C12 C 0.2606(17) -0.1462(19) 1.1856(8) 0.127(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'
Sn Sn -0.6537 1.4246 '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 Sn1 F3 178.85(16) 3 2
F3 Sn1 F3 89.994(2) 3 6
F3 Sn1 F3 89.994(2) 2 6
F3 Sn1 F3 89.994(2) 3 .
F3 Sn1 F3 89.994(2) 2 .
F3 Sn1 F3 178.85(16) 6 .
F3 Sn1 F1 89.42(8) 3 .
F3 Sn1 F1 89.42(8) 2 .
F3 Sn1 F1 89.42(8) 6 .
F3 Sn1 F1 89.43(8) . .
F3 Sn1 F2 90.58(8) 3 .
F3 Sn1 F2 90.58(8) 2 .
F3 Sn1 F2 90.58(8) 6 .
F3 Sn1 F2 90.57(8) . .
F1 Sn1 F2 180.0 . .
N1 Co1 N1 89.896(8) 2 6
N1 Co1 N1 175.12(18) 2 3
N1 Co1 N1 89.896(8) 6 3
N1 Co1 N1 89.896(8) 2 .
N1 Co1 N1 175.12(18) 6 .
N1 Co1 N1 89.896(9) 3 .
N1 Co1 F1 92.44(9) 2 .
N1 Co1 F1 92.44(9) 6 .
N1 Co1 F1 92.44(9) 3 .
N1 Co1 F1 92.44(9) . .
N1 Co1 Co3 87.56(9) 2 .
N1 Co1 Co3 87.56(9) 6 .
N1 Co1 Co3 87.56(9) 3 .
N1 Co1 Co3 87.56(9) . .
F1 Co1 Co3 180.0 . .
N3 Co2 N3 174.36(18) 3 2
N3 Co2 N3 89.861(9) 3 6
N3 Co2 N3 89.861(9) 2 6
N3 Co2 N3 89.860(9) 3 .
N3 Co2 N3 89.863(9) 2 .
N3 Co2 N3 174.36(18) 6 .
N3 Co2 F2 92.82(9) 3 .
N3 Co2 F2 92.82(9) 2 .
N3 Co2 F2 92.82(9) 6 .
N3 Co2 F2 92.82(9) . .
N3 Co2 Co3 87.18(9) 3 12_655
N3 Co2 Co3 87.18(9) 2 12_655
N3 Co2 Co3 87.18(9) 6 12_655
N3 Co2 Co3 87.18(9) . 12_655
F2 Co2 Co3 180.0 . 12_655
N2B Co3 N2B 179.5(9) 3 2
N2B Co3 N2B 89.999(11) 3 6
N2B Co3 N2B 89.999(6) 2 6
N2B Co3 N2B 90.000(6) 3 .
N2B Co3 N2B 89.998(11) 2 .
N2B Co3 N2B 179.5(9) 6 .
N2B Co3 N2A 48.5(5) 3 .
N2B Co3 N2A 131.5(5) 2 .
N2B Co3 N2A 138.5(5) 6 .
N2B Co3 N2A 41.5(5) . .
N2B Co3 N2A 138.5(5) 3 2
N2B Co3 N2A 41.5(5) 2 2
N2B Co3 N2A 131.5(5) 6 2
N2B Co3 N2A 48.5(5) . 2
N2A Co3 N2A 89.998(2) . 2
N2B Co3 N2A 41.5(5) 3 3
N2B Co3 N2A 138.5(5) 2 3
N2B Co3 N2A 48.5(5) 6 3
N2B Co3 N2A 131.5(5) . 3
N2A Co3 N2A 89.999(3) . 3
N2A Co3 N2A 179.5(2) 2 3
N2B Co3 N2A 131.5(5) 3 6
N2B Co3 N2A 48.5(5) 2 6
N2B Co3 N2A 41.5(5) 6 6
N2B Co3 N2A 138.5(5) . 6
N2A Co3 N2A 179.5(2) . 6
N2A Co3 N2A 89.999(3) 2 6
N2A Co3 N2A 89.999(2) 3 6
N2B Co3 Co1 89.7(5) 3 .
N2B Co3 Co1 89.8(5) 2 .
N2B Co3 Co1 89.7(5) 6 .
N2B Co3 Co1 89.7(5) . .
N2A Co3 Co1 89.73(12) . .
N2A Co3 Co1 89.73(12) 2 .
N2A Co3 Co1 89.73(12) 3 .
N2A Co3 Co1 89.73(12) 6 .
N2B Co3 Co2 90.3(5) 3 12_656
N2B Co3 Co2 90.2(5) 2 12_656
N2B Co3 Co2 90.3(5) 6 12_656
N2B Co3 Co2 90.3(5) . 12_656
N2A Co3 Co2 90.27(12) . 12_656
N2A Co3 Co2 90.27(12) 2 12_656
N2A Co3 Co2 90.27(12) 3 12_656
N2A Co3 Co2 90.27(12) 6 12_656
Co1 Co3 Co2 180.0 . 12_656
Sn1 F1 Co1 180.0 . .
C10A N3 C6A 118.8(5) . .
C10B N3 C6B 117(2) . .
C10B N3 Co2 120.8(16) . .
C10A N3 Co2 120.1(4) . .
C6A N3 Co2 121.0(3) . .
C6B N3 Co2 122.7(14) . .
C5B N1 C1B 117(2) . .
C5A N1 C1A 119.4(5) . .
C5B N1 Co1 122.8(19) . .
C5A N1 Co1 120.7(4) . .
C1B N1 Co1 118.8(10) . .
C1A N1 Co1 119.7(3) . .
C5A C4 C3A 119.2(6) . .
C3B C4 C5B 115(3) . .
C5A C4 H4 120.4 . .
C3A C4 H4 120.4 . .
N1 C5A C4 122.3(6) . .
N1 C5A H5A 118.9 . .
C4 C5A H5A 118.9 . .
C8A C7A C6A 119.7(9) . .
C8A C7A H7A 120.1 . .
C6A C7A H7A 120.1 . .
C9A C8A C7A 118.5(10) . .
C9A C8A H8A 120.7 . .
C7A C8A H8A 120.7 . .
Sn1 F2 Co2 180.0 . .
N2B N2A C1A 124.8(8) . .
N2B N2A C6A 76.6(8) . 15_666
C1A N2A C6A 123.2(5) . 15_666
N2B N2A N2B 134.3(15) . 3
C1A N2A N2B 79.1(7) . 3
C6A N2A N2B 126.0(8) 15_666 3
N2B N2A Co3 68.9(8) . .
C1A N2A Co3 118.8(4) . .
C6A N2A Co3 118.0(4) 15_666 .
N2B N2A Co3 65.4(7) 3 .
N2A C1A N1 114.6(5) . .
N2A C1A C2A 126.4(5) . .
N1 C1A C2A 118.7(5) . .
N2A C1A N2B 55.3(6) . 3
N1 C1A N2B 90.2(6) . 3
C2A C1A N2B 118.3(7) . 3
C3A C2A C1A 120.8(6) . .
C3A C2A H2A 119.6 . .
C1A C2A H2A 119.6 . .
C2A C3A C4 119.4(8) . .
C2A C3A H3A 120.3 . .
C4 C3A H3A 120.3 . .
N3 C6A N2A 115.2(6) . 15_665
N3 C6A C7A 120.1(6) . .
N2A C6A C7A 124.5(6) 15_665 .
N3 C6A N2B 97.6(7) . 15_665
N2A C6A N2B 51.2(6) 15_665 15_665
C7A C6A N2B 114.6(8) . 15_665
C10A C9A C8A 119.2(7) . .
C10A C9A H9A 120.4 . .
C8A C9A H9A 120.4 . .
N3 C10A C9A 123.5(7) . .
N3 C10A H10A 118.3 . .
C9A C10A H10A 118.3 . .
C1B N2B C6B 129(2) 2 15_666
N2A N2B N2A 135.7(15) . 2
N2A N2B C6A 52.1(7) . 15_666
N2A N2B C6A 141.0(11) 2 15_666
N2A N2B C1A 144.2(12) . 2
N2A N2B C1A 45.5(5) 2 2
C6A N2B C1A 158.3(12) 15_666 2
N2A N2B Co3 69.6(8) . .
C1B N2B Co3 114.6(14) 2 .
C6B N2B Co3 116.8(16) 15_666 .
N2A N2B Co3 66.1(7) 2 .
C6A N2B Co3 103.7(9) 15_666 .
C1A N2B Co3 97.2(8) 2 .
N1 C1B C2B 119.2(19) . .
N1 C1B N2B 117.2(18) . 3
C2B C1B N2B 123(2) . 3
C3B C2B C1B 118(3) . .
C3B C2B H2B 120.8 . .
C1B C2B H2B 120.8 . .
C9B C10B N3 122(3) . .
C9B C10B H10B 118.8 . .
N3 C10B H10B 118.8 . .
C7B C6B N3 120(3) . .
C7B C6B N2B 127(3) . 15_665
N3 C6B N2B 112(2) . 15_665
C8B C9B C10B 117(4) . .
C8B C9B H9B 121.7 . .
C10B C9B H9B 121.7 . .
C4 C3B C2B 122(4) . .
C4 C3B H3B 118.8 . .
C2B C3B H3B 118.8 . .
N1 C5B C4 124(3) . .
N1 C5B H5B 117.8 . .
C4 C5B H5B 117.8 . .
C7B C8B C9B 122(6) . .
C7B C8B H8B 119.1 . .
C9B C8B H8B 119.1 . .
C8B C7B C6B 120(5) . .
C8B C7B H7B 120.1 . .
C6B C7B H7B 120.1 . .
O1 O1 C12 132.7(16) 6_545 .
N5 C11 N5 53.3(11) . 7_547
C12 N5 N5 151.4(14) . 7_547
C12 N5 C11 111.1(18) . .
N5 N5 C11 66.1(12) 7_547 .
C12 N5 C11 130.2(17) . 7_547
N5 N5 C11 60.6(14) 7_547 7_547
C11 N5 C11 118.7(14) . 7_547
O1 C12 N5 123(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 F3 1.928(3) 3
Sn1 F3 1.928(3) 2
Sn1 F3 1.928(3) 6
Sn1 F3 1.928(3) .
Sn1 F1 2.002(4) .
Sn1 F2 2.009(4) .
Co1 N1 1.947(3) 2
Co1 N1 1.947(3) 6
Co1 N1 1.947(3) 3
Co1 N1 1.947(3) .
Co1 F1 2.104(4) .
Co1 Co3 2.2745(12) .
Co2 N3 1.962(3) 3
Co2 N3 1.962(3) 2
Co2 N3 1.962(3) 6
Co2 N3 1.962(3) .
Co2 F2 2.173(4) .
Co2 Co3 2.2884(13) 12_655
Co3 N2B 1.906(19) 3
Co3 N2B 1.906(19) 2
Co3 N2B 1.906(19) 6
Co3 N2B 1.906(19) .
Co3 N2A 1.916(5) .
Co3 N2A 1.916(5) 2
Co3 N2A 1.916(5) 3
Co3 N2A 1.916(5) 6
Co3 Co2 2.2882(13) 12_656
N3 C10B 1.35(3) .
N3 C10A 1.362(8) .
N3 C6A 1.364(7) .
N3 C6B 1.37(3) .
N1 C5B 1.28(4) .
N1 C5A 1.351(8) .
N1 C1B 1.35(2) .
N1 C1A 1.392(6) .
C4 C3B 1.25(5) .
C4 C5A 1.373(10) .
C4 C3A 1.393(10) .
C4 C5B 1.42(4) .
C4 H4 0.9500 .
C5A H5A 0.9500 .
C7A C8A 1.408(14) .
C7A C6A 1.417(11) .
C7A H7A 0.9500 .
C8A C9A 1.389(16) .
C8A H8A 0.9500 .
N2A N2B 1.354(18) .
N2A C1A 1.363(7) .
N2A C6A 1.372(8) 15_666
N2A N2B 1.570(18) 3
C1A C2A 1.408(8) .
C1A N2B 1.875(19) 3
C2A C3A 1.361(11) .
C2A H2A 0.9500 .
C3A H3A 0.9500 .
C6A N2A 1.371(8) 15_665
C6A N2B 1.690(18) 15_665
C9A C10A 1.369(11) .
C9A H9A 0.9500 .
C10A H10A 0.9500 .
N2B C1B 1.39(3) 2
N2B C6B 1.42(3) 15_666
N2B N2A 1.570(18) 2
N2B C6A 1.690(18) 15_666
N2B C1A 1.875(19) 2
C1B C2B 1.38(3) .
C1B N2B 1.39(3) 3
C2B C3B 1.36(5) .
C2B H2B 0.9500 .
C10B C9B 1.35(5) .
C10B H10B 0.9500 .
C6B C7B 1.33(6) .
C6B N2B 1.42(3) 15_665
C9B C8B 1.32(7) .
C9B H9B 0.9500 .
C3B H3B 0.9500 .
C5B H5B 0.9500 .
C8B C7B 1.29(8) .
C8B H8B 0.9500 .
C7B H7B 0.9500 .
O1 O1 1.17(4) 6_545
O1 C12 1.22(2) .
C11 N5 1.501(19) .
C11 N5 1.57(2) 7_547
N5 C12 1.35(2) .
N5 N5 1.38(3) 7_547
N5 C11 1.57(2) 7_547
