#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:15:17 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180471 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/40/7214050.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_7214050
loop_
_publ_author_name
'Han, Li-Wei'
'Lü, Jian'
'Lin, Zu-Jin'
'Cao, Rong'
_publ_section_title
;
 Cobalt-cluster-based coordination polymers with size-matching mixed
 ligands
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1749
_journal_paper_doi               10.1039/c3ce42110d
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C92 H56 Co5 F24 N4 O18, 4 (C4 H9 N O)'
_chemical_formula_sum            'C108 H94 Co5 F24 N8 O22'
_chemical_formula_weight         2606.56
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2013-11-22
_audit_creation_method
;
Olex2 1.2
(compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4715)
;
_cell_angle_alpha                100.763(4)
_cell_angle_beta                 100.701(2)
_cell_angle_gamma                100.779(3)
_cell_formula_units_Z            1
_cell_length_a                   15.792(5)
_cell_length_b                   15.821(5)
_cell_length_c                   18.031(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4233(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.942
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_unetI/netI     0.0890
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33743
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         2.047
_exptl_absorpt_coefficient_mu    0.554
_exptl_crystal_density_diffrn    1.023
_exptl_crystal_F_000             1325
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         18371
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.0902
_refine_ls_R_factor_gt           0.0702
_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)+(0.1114P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1948
_refine_ls_wR_factor_ref         0.2067
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9439
_reflns_number_total             18371
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3ce42110d.txt
_cod_data_source_block           3_bcphfp_BPE_Co5
_cod_database_code               7214050
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 C6, C2, C3, C4, C5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C8, C12, C11, C10, C9
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C13, C18, C17, C7, C15, C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C22, C21, C26, C25, C24, C23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C31, C30, C35, C34, C33, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C38, C39, C40, C43, C42, C41
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C16(H16A,H16B)
3.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C31(H31), C34(H34), C39(H39), C22(H22), C9(H9), C41(H41), C11(H11),
 C18(H18), C35(H35), C42(H42), C23(H23), C32(H32), C15(H15), C25(H25), C14(H14),
  C8(H8), C4(H4), C12(H12), C5(H5), C2(H2), C17(H17), C40(H40), C6(H6)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Co1 Co 0.31541(3) 0.32224(3) 0.45151(3) 0.04558(15) Uani 1 1 d . . .
Co3 Co 0.5000 -0.5000 0.5000 0.03573(16) Uani 1 2 d S T P
Co2 Co 0.36773(3) 0.37306(3) 0.30024(3) 0.04988(15) Uani 1 1 d . . .
O3 O 0.20383(16) 0.33636(19) 0.37141(15) 0.0642(7) Uani 1 1 d . . .
O4 O 0.2427(2) 0.3757(3) 0.26907(19) 0.0920(11) Uani 1 1 d . . .
F10 F 0.1801(2) 0.7922(3) 0.9030(2) 0.168(2) Uani 1 1 d . . .
F12 F 0.2286(2) 0.8021(3) 0.7987(3) 0.1338(14) Uani 1 1 d . . .
O7 O 0.41387(18) 0.29656(19) 0.52945(18) 0.0737(9) Uani 1 1 d . . .
O9 O 0.3944(2) 0.4177(2) 0.41033(15) 0.0937(12) Uani 1 1 d . . .
O5 O 0.29370(17) 0.42343(19) 0.53230(16) 0.0649(7) Uani 1 1 d . . .
O2 O 0.3904(3) 0.2544(2) 0.2756(2) 0.0913(11) Uani 1 1 d . . .
F11 F 0.3090(2) 0.7693(3) 0.8975(2) 0.167(2) Uani 1 1 d . . .
N2 N 0.22350(19) 0.2283(2) 0.48474(17) 0.0556(8) Uani 1 1 d . . .
C30 C 0.3023(2) 0.5381(3) 0.6378(2) 0.0555(9) Uani 1 1 d . U .
C21 C 0.3895(4) -0.2183(3) 0.2546(3) 0.0783(13) Uani 1 1 d . U .
O1 O 0.3296(2) 0.21329(18) 0.36847(18) 0.0747(9) Uani 1 1 d . . .
C26 C 0.3505(4) -0.3025(3) 0.2609(3) 0.0825(14) Uani 1 1 d . U .
H26 H 0.2983 -0.3344 0.2258 0.099 Uiso 1 1 calc R . .
C31 C 0.2158(3) 0.4970(3) 0.6447(3) 0.0715(12) Uani 1 1 d . U .
H31 H 0.1840 0.4436 0.6116 0.086 Uiso 1 1 calc R . .
C34 C 0.3120(3) 0.6573(3) 0.7472(3) 0.0805(13) Uani 1 1 d . U .
H34 H 0.3443 0.7103 0.7808 0.097 Uiso 1 1 calc R . .
C39 C 0.0606(3) 0.6689(4) 0.7177(3) 0.0847(15) Uani 1 1 d . U .
H39 H 0.1040 0.6828 0.6906 0.102 Uiso 1 1 calc R . .
C33 C 0.2277(3) 0.6183(3) 0.7547(3) 0.0703(12) Uani 1 1 d . U .
C43 C 0.0913(3) 0.3549(3) 0.2744(2) 0.0721(13) Uani 1 1 d . U .
C22 C 0.4719(4) -0.1727(3) 0.3082(3) 0.0848(14) Uani 1 1 d . U .
H22 H 0.5003 -0.1170 0.3046 0.102 Uiso 1 1 calc R . .
N14 N 0.4139(3) 0.4290(3) 0.2183(2) 0.0905(14) Uani 1 1 d . . .
C24 C 0.4703(3) -0.2935(2) 0.3719(2) 0.0573(9) Uani 1 1 d . U .
C9 C 0.1749(4) 0.0852(3) 0.5079(3) 0.0948(16) Uani 1 1 d . U .
H9 H 0.1872 0.0307 0.5116 0.114 Uiso 1 1 calc R . .
C41 C 0.0284(3) 0.3302(3) 0.3154(3) 0.0733(12) Uani 1 1 d . U .
H41 H 0.0435 0.3138 0.3621 0.088 Uiso 1 1 calc R . .
C11 C 0.0764(3) 0.1820(4) 0.5079(3) 0.0962(16) Uani 1 1 d . U .
H11 H 0.0213 0.1933 0.5108 0.115 Uiso 1 1 calc R . .
C7 C 0.3635(4) -0.0741(3) 0.2208(3) 0.0892(16) Uani 1 1 d . U .
C36 C 0.3396(2) 0.4924(2) 0.5744(2) 0.0514(9) Uani 1 1 d . . .
O8 O 0.41434(19) -0.47256(19) 0.5703(2) 0.0853(11) Uani 1 1 d . . .
O6 O 0.46714(18) -0.40330(19) 0.4440(2) 0.0869(11) Uani 1 1 d . . .
C3 C 0.4640(5) 0.4889(6) 0.0926(3) 0.154(4) Uani 1 1 d . U .
C18 C 0.3882(4) 0.0779(3) 0.2111(3) 0.106(2) Uani 1 1 d . U .
H18 H 0.4079 0.1207 0.1852 0.127 Uiso 1 1 calc R . .
C44 C 0.1870(3) 0.3541(3) 0.3079(2) 0.0612(10) Uani 1 1 d . . .
C35 C 0.3469(3) 0.6156(3) 0.6886(3) 0.0670(11) Uani 1 1 d . U .
H35 H 0.4029 0.6418 0.6841 0.080 Uiso 1 1 calc R . .
C42 C 0.0677(3) 0.3728(5) 0.2036(3) 0.112(2) Uani 1 1 d . U .
H42 H 0.1102 0.3858 0.1754 0.134 Uiso 1 1 calc R . .
C13 C 0.3623(3) 0.1035(3) 0.2799(2) 0.0703(12) Uani 1 1 d . U .
C23 C 0.5088(3) -0.2112(3) 0.3648(3) 0.0714(12) Uani 1 1 d . U .
H23 H 0.5616 -0.1803 0.3994 0.086 Uiso 1 1 calc R . .
C32 C 0.1813(3) 0.5400(4) 0.7027(3) 0.0823(14) Uani 1 1 d . U .
H32 H 0.1247 0.5150 0.7068 0.099 Uiso 1 1 calc R . .
C10 C 0.0971(4) 0.0986(4) 0.5176(3) 0.0990(18) Uani 1 1 d . U .
C15 C 0.3393(3) -0.0477(3) 0.2903(3) 0.0763(13) Uani 1 1 d . U .
H15 H 0.3236 -0.0898 0.3181 0.092 Uiso 1 1 calc R . .
C25 C 0.3889(3) -0.3391(3) 0.3194(3) 0.0754(12) Uani 1 1 d . U .
H25 H 0.3608 -0.3944 0.3241 0.090 Uiso 1 1 calc R . .
C14 C 0.3378(3) 0.0377(3) 0.3188(3) 0.0814(13) Uani 1 1 d . U .
H14 H 0.3202 0.0525 0.3650 0.098 Uiso 1 1 calc R . .
C8 C 0.2405(3) 0.1493(3) 0.4922(3) 0.0714(12) Uani 1 1 d . U .
H8 H 0.2948 0.1372 0.4870 0.086 Uiso 1 1 calc R . .
C4 C 0.5113(4) 0.5119(5) 0.1602(4) 0.116(2) Uani 1 1 d . U .
H4 H 0.5669 0.5494 0.1692 0.139 Uiso 1 1 calc R . .
C20 C 0.3531(5) -0.1756(4) 0.1884(3) 0.103(2) Uani 1 1 d . . .
C12 C 0.1451(3) 0.2462(3) 0.4937(2) 0.0688(12) Uani 1 1 d . U .
H12 H 0.1353 0.3017 0.4906 0.083 Uiso 1 1 calc R . .
C27 C 0.5105(2) -0.3342(2) 0.4339(2) 0.0521(9) Uani 1 1 d . . .
C1 C 0.0273(4) 0.0297(4) 0.5341(3) 0.127(2) Uani 1 1 d . . .
H1A H 0.0561 -0.0035 0.5669 0.153 Uiso 1 1 calc R . .
H1B H -0.0096 0.0593 0.5623 0.153 Uiso 1 1 calc R . .
C37 C 0.1848(3) 0.6580(5) 0.8193(3) 0.103(2) Uani 1 1 d . . .
C38 C 0.0839(3) 0.6485(4) 0.7867(3) 0.0804(14) Uani 1 1 d . U .
C46 C 0.2289(4) 0.7557(5) 0.8567(4) 0.112(2) Uani 1 1 d . . .
C5 C 0.4832(4) 0.4828(5) 0.2248(4) 0.126(3) Uani 1 1 d . U .
H5 H 0.5197 0.5061 0.2741 0.151 Uiso 1 1 calc R . .
C19 C 0.3593(3) 0.1977(3) 0.3112(2) 0.0640(11) Uani 1 1 d . . .
C2 C 0.3804(8) 0.4573(10) 0.0899(5) 0.323(10) Uani 1 1 d . U .
H2 H 0.3380 0.4574 0.0467 0.388 Uiso 1 1 calc R . .
C17 C 0.3854(5) -0.0102(4) 0.1801(3) 0.122(3) Uani 1 1 d . U .
H17 H 0.3982 -0.0264 0.1319 0.147 Uiso 1 1 calc R . .
C40 C 0.0201(4) 0.6286(5) 0.8264(3) 0.125(3) Uani 1 1 d . U .
H40 H 0.0359 0.6156 0.8746 0.150 Uiso 1 1 calc R . .
F8 F 0.2854(2) 0.6007(4) 0.9008(2) 0.191(2) Uani 1 1 d . . .
F2 F 0.4912(5) -0.1421(4) 0.1513(3) 0.173(3) Uani 1 1 d . . .
F7 F 0.1489(3) 0.5182(4) 0.8591(3) 0.146(2) Uani 1 1 d . . .
F4 F 0.2084(3) -0.2196(3) 0.2031(3) 0.1382(15) Uani 1 1 d . . .
F9 F 0.1823(3) 0.6424(4) 0.9489(2) 0.189(2) Uani 1 1 d . . .
F5 F 0.2408(4) -0.3032(2) 0.1108(2) 0.169(2) Uani 1 1 d . . .
F3 F 0.4138(5) -0.2759(3) 0.1087(2) 0.219(3) Uani 1 1 d . . .
F6 F 0.2226(3) -0.1698(3) 0.1025(2) 0.178(2) Uani 1 1 d . . .
C29 C 0.2559(6) -0.2156(5) 0.1528(4) 0.114(2) Uani 1 1 d . . .
C45 C 0.1943(5) 0.5931(9) 0.8779(4) 0.160(5) Uani 1 1 d . . .
F1 F 0.3767(5) -0.1706(3) 0.0611(2) 0.214(3) Uani 1 1 d . . .
C6 C 0.3514(7) 0.4212(7) 0.1539(4) 0.218(5) Uani 1 1 d . U .
H6 H 0.2925 0.3944 0.1496 0.261 Uiso 1 1 calc R . .
C28 C 0.4094(10) -0.1899(7) 0.1273(5) 0.181(6) Uani 1 1 d . . .
C16 C 0.4853(8) 0.5295(7) 0.0195(7) 0.215(5) Uani 1 1 d . . .
H16A H 0.4320 0.5390 -0.0112 0.258 Uiso 1 1 calc R . .
H16B H 0.5292 0.5850 0.0372 0.258 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'
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'
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
O3 Co1 O1 90.34(12) . .
O7 Co1 O3 173.85(10) . .
O7 Co1 O9 98.35(12) . .
O7 Co1 O5 93.62(13) . .
O7 Co1 N2 87.99(12) . .
O7 Co1 O1 87.71(14) . .
O9 Co1 O3 87.60(12) . .
O9 Co1 N2 173.65(13) . .
O9 Co1 O1 94.00(12) . .
O5 Co1 O3 88.00(12) . .
O5 Co1 O9 89.22(13) . .
O5 Co1 N2 90.18(12) . .
O5 Co1 O1 176.32(10) . .
N2 Co1 O3 86.07(11) . .
N2 Co1 O1 86.43(12) . .
O9 Co3 O9 180.0 2_656 1_545
O8 Co3 O9 91.64(13) 2_646 2_656
O8 Co3 O9 88.36(13) . 2_656
O8 Co3 O9 91.64(13) . 1_545
O8 Co3 O9 88.36(13) 2_646 1_545
O8 Co3 O8 180.0 . 2_646
O8 Co3 O6 91.40(15) . 2_646
O8 Co3 O6 91.40(15) 2_646 .
O8 Co3 O6 88.60(15) . .
O8 Co3 O6 88.60(15) 2_646 2_646
O6 Co3 O9 82.08(13) . 1_545
O6 Co3 O9 97.92(13) 2_646 1_545
O6 Co3 O9 97.92(13) . 2_656
O6 Co3 O9 82.08(13) 2_646 2_656
O6 Co3 O6 180.00(8) . 2_646
O4 Co2 O2 113.78(17) . .
O4 Co2 N14 98.82(16) . .
O9 Co2 O4 102.73(15) . .
O9 Co2 O2 110.22(16) . .
O9 Co2 N14 128.94(14) . .
O2 Co2 N14 102.10(17) . .
C44 O3 Co1 138.8(3) . .
C44 O4 Co2 122.7(3) . .
C27 O7 Co1 137.3(2) 2_656 .
Co1 O9 Co3 111.68(12) . 1_565
Co2 O9 Co1 104.75(12) . .
Co2 O9 Co3 139.13(14) . 1_565
C36 O5 Co1 134.8(2) . .
C19 O2 Co2 118.2(3) . .
C8 N2 Co1 120.7(3) . .
C8 N2 C12 120.1(3) . .
C12 N2 Co1 119.1(3) . .
C31 C30 C36 117.9(4) . .
C35 C30 C31 118.9(4) . .
C35 C30 C36 123.2(3) . .
C26 C21 C22 117.8(4) . .
C26 C21 C20 123.2(5) . .
C22 C21 C20 118.7(5) . .
C19 O1 Co1 140.8(3) . .
C25 C26 C21 120.5(4) . .
C32 C31 C30 117.7(4) . .
C35 C34 C33 119.1(5) . .
C38 C39 C41 122.2(4) . 2_566
C34 C33 C37 122.9(5) . .
C32 C33 C34 118.6(4) . .
C32 C33 C37 118.5(4) . .
C41 C43 C44 118.1(4) . .
C42 C43 C41 121.2(4) . .
C42 C43 C44 120.6(4) . .
C23 C22 C21 120.2(4) . .
C5 N14 Co2 129.3(4) . .
C5 N14 C6 114.9(5) . .
C6 N14 Co2 113.9(4) . .
C23 C24 C25 118.1(4) . .
C23 C24 C27 121.7(4) . .
C25 C24 C27 120.1(3) . .
C10 C9 C8 123.6(5) . .
C43 C41 C39 116.8(4) . 2_566
C12 C11 C10 116.9(5) . .
C15 C7 C20 117.9(4) . .
C17 C7 C15 117.7(4) . .
C17 C7 C20 123.9(4) . .
O5 C36 C30 117.4(3) . .
O5 C36 O8 125.5(4) . 1_565
O8 C36 C30 117.1(4) 1_565 .
C36 O8 Co3 136.0(3) 1_545 .
C27 O6 Co3 133.7(3) . .
C4 C3 C2 113.2(6) . .
C4 C3 C16 125.4(7) . .
C2 C3 C16 116.3(8) . .
C17 C18 C13 121.4(5) . .
O3 C44 O4 125.6(4) . .
O3 C44 C43 117.5(3) . .
O4 C44 C43 116.8(4) . .
C30 C35 C34 122.8(4) . .
C43 C42 C40 119.5(4) . 2_566
C18 C13 C14 117.2(4) . .
C18 C13 C19 121.9(4) . .
C14 C13 C19 120.9(4) . .
C24 C23 C22 122.2(4) . .
C33 C32 C31 122.9(4) . .
C9 C10 C11 118.1(4) . .
C9 C10 C1 123.3(6) . .
C11 C10 C1 118.6(6) . .
C14 C15 C7 122.0(4) . .
C26 C25 C24 121.0(4) . .
C15 C14 C13 121.2(4) . .
N2 C8 C9 119.4(5) . .
C3 C4 C5 122.8(6) . .
C21 C20 C7 109.9(4) . .
C21 C20 C28 106.6(5) . .
C29 C20 C21 112.0(5) . .
C29 C20 C7 107.5(5) . .
C29 C20 C28 110.9(7) . .
C28 C20 C7 109.9(6) . .
N2 C12 C11 121.9(5) . .
O7 C27 C24 116.4(3) 2_656 .
O7 C27 O6 124.8(4) 2_656 .
O6 C27 C24 118.7(4) . .
C1 C1 C10 113.1(6) 2_556 .
C33 C37 C38 110.4(4) . .
C33 C37 C45 102.5(5) . .
C38 C37 C45 107.6(5) . .
C46 C37 C33 112.7(5) . .
C46 C37 C38 109.3(5) . .
C46 C37 C45 114.1(6) . .
C39 C38 C37 116.8(4) . .
C39 C38 C40 118.8(4) . .
C40 C38 C37 124.2(4) . .
F10 C46 F12 105.0(6) . .
F10 C46 C37 110.7(6) . .
F12 C46 C37 108.5(5) . .
F11 C46 F10 108.1(5) . .
F11 C46 F12 109.7(7) . .
F11 C46 C37 114.5(6) . .
N14 C5 C4 123.6(6) . .
O2 C19 C13 116.3(4) . .
O1 C19 O2 125.9(4) . .
O1 C19 C13 117.8(4) . .
C3 C2 C6 122.0(10) . .
C7 C17 C18 120.3(5) . .
C38 C40 C42 121.5(5) . 2_566
F4 C29 C20 113.4(6) . .
F4 C29 F5 104.7(7) . .
F4 C29 F6 108.4(7) . .
F5 C29 C20 112.3(6) . .
F6 C29 C20 111.1(6) . .
F6 C29 F5 106.5(5) . .
F8 C45 C37 104.5(7) . .
F8 C45 F9 97.8(6) . .
F7 C45 C37 119.6(7) . .
F7 C45 F8 115.7(10) . .
F7 C45 F9 112.6(7) . .
F9 C45 C37 104.0(8) . .
N14 C6 C2 117.2(8) . .
F2 C28 C20 113.0(8) . .
F2 C28 F3 107.3(11) . .
F2 C28 F1 106.1(10) . .
F3 C28 C20 110.7(8) . .
F1 C28 C20 113.5(10) . .
F1 C28 F3 105.8(7) . .
C16 C16 C3 103.9(9) 2_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.136(3) .
Co1 O7 2.049(3) .
Co1 O9 2.109(2) .
Co1 O5 2.079(3) .
Co1 N2 2.127(3) .
Co1 O1 2.137(3) .
Co3 O9 2.119(3) 1_545
Co3 O9 2.119(3) 2_656
Co3 O8 2.067(3) .
Co3 O8 2.068(3) 2_646
Co3 O6 2.076(3) .
Co3 O6 2.076(3) 2_646
Co2 O4 1.961(3) .
Co2 O9 1.916(3) .
Co2 O2 1.962(3) .
Co2 N14 2.035(3) .
O3 C44 1.222(4) .
O4 C44 1.260(4) .
F10 C46 1.360(6) .
F12 C46 1.385(8) .
O7 C27 1.229(4) 2_656
O9 Co3 2.119(3) 1_565
O5 C36 1.218(4) .
O2 C19 1.275(5) .
F11 C46 1.296(7) .
N2 C8 1.351(5) .
N2 C12 1.353(5) .
C30 C31 1.438(5) .
C30 C36 1.509(5) .
C30 C35 1.362(6) .
C21 C26 1.395(6) .
C21 C22 1.438(7) .
C21 C20 1.549(6) .
O1 C19 1.215(4) .
C26 C25 1.392(6) .
C31 C32 1.391(6) .
C34 C33 1.401(6) .
C34 C35 1.394(6) .
C39 C41 1.425(6) 2_566
C39 C38 1.347(6) .
C33 C32 1.387(7) .
C33 C37 1.546(6) .
C43 C41 1.385(6) .
C43 C44 1.523(5) .
C43 C42 1.360(6) .
C22 C23 1.379(6) .
N14 C5 1.226(6) .
N14 C6 1.347(10) .
C24 C23 1.369(5) .
C24 C25 1.420(6) .
C24 C27 1.493(5) .
C9 C10 1.321(8) .
C9 C8 1.418(5) .
C41 C39 1.425(6) 2_566
C11 C10 1.450(8) .
C11 C12 1.436(5) .
C7 C15 1.391(6) .
C7 C20 1.570(7) .
C7 C17 1.385(7) .
C36 O8 1.228(4) 1_565
O8 C36 1.229(4) 1_545
O6 C27 1.240(4) .
C3 C4 1.253(8) .
C3 C2 1.309(11) .
C3 C16 1.633(10) .
C18 C13 1.391(6) .
C18 C17 1.391(7) .
C42 C40 1.387(7) 2_566
C13 C14 1.397(6) .
C13 C19 1.503(6) .
C10 C1 1.512(6) .
C15 C14 1.358(6) .
C4 C5 1.442(6) .
C20 C29 1.512(10) .
C20 C28 1.550(12) .
C27 O7 1.229(4) 2_656
C1 C1 1.417(11) 2_556
C37 C38 1.561(6) .
C37 C46 1.538(9) .
C37 C45 1.612(11) .
C38 C40 1.362(7) .
C2 C6 1.487(10) .
C40 C42 1.387(7) 2_566
F8 C45 1.396(8) .
F2 C28 1.317(14) .
F7 C45 1.214(12) .
F4 C29 1.282(8) .
F9 C45 1.435(10) .
F5 C29 1.403(7) .
F3 C28 1.357(9) .
F6 C29 1.354(7) .
F1 C28 1.322(10) .
C16 C16 1.272(16) 2_665
