#------------------------------------------------------------------------------
#$Date: 2019-11-23 01:30:06 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231764 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/64/4346421.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_4346421
loop_
_publ_author_name
'Cassaro, Rafael A Allão'
'Reis, Samira G.'
'Araujo, Thamyres S.'
'Lahti, Paul M.'
'Novak, Miguel A.'
'Vaz, Maria G. F.'
_publ_section_title
;
 A single-chain magnet with a very high blocking temperature and a strong
 coercive field.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9381
_journal_page_last               9383
_journal_paper_doi               10.1021/acs.inorgchem.5b01431
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C27 H21 Co F12 N2 O6'
_chemical_formula_sum            'C27 H21 Co F12 N2 O6'
_chemical_formula_weight         756.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-04-10 # Formatted by publCIF

;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 104.383(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.789(5)
_cell_length_b                   14.109(5)
_cell_length_c                   18.859(5)
_cell_measurement_temperature    150(2)
_cell_volume                     3038.5(19)
_computing_cell_refinement       'SAINT V8.34A (Bruker ACS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker ACS Inc., 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0384
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28652
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.230
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/3 (Bruker AXS Inc.)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.083
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         5363
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0481
_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)+(0.0407P)²+7.2023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1184
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4358
_reflns_number_total             5363
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b01431_si_002.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4346421
_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.
;
_shelx_estimated_absorpt_t_min   0.897
_shelx_estimated_absorpt_t_max   0.946
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_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
Co1 Co 0.70573(3) 0.24598(3) 0.81524(2) 0.02266(13) Uani 1 1 d . . . . .
F8 F 0.80753(19) 0.00449(15) 0.99178(11) 0.0450(5) Uani 1 1 d . . . . .
O5 O 0.66925(19) 0.34634(14) 0.73502(12) 0.0259(5) Uani 1 1 d . . . . .
F9 F 0.6424(2) 0.00881(17) 1.02106(12) 0.0514(6) Uani 1 1 d . . . . .
F7 F 0.7595(2) 0.12717(17) 1.04555(11) 0.0509(6) Uani 1 1 d . . . . .
F6 F 0.6918(2) 0.35261(19) 1.07696(13) 0.0594(7) Uani 1 1 d . . . . .
O6 O 0.7548(2) 0.66573(14) 0.76698(12) 0.0281(5) Uani 1 1 d . . . . .
O4 O 0.53297(19) 0.20411(15) 0.79065(12) 0.0289(5) Uani 1 1 d . . . . .
F12 F 0.3021(2) 0.1000(2) 0.83955(18) 0.0799(10) Uani 1 1 d . . . . .
O2 O 0.6579(2) 0.33495(16) 0.89161(12) 0.0317(5) Uani 1 1 d . . . . .
O3 O 0.73757(18) 0.13521(15) 0.88866(12) 0.0273(5) Uani 1 1 d . . . . .
F4 F 0.6666(3) 0.48040(19) 1.01633(15) 0.0757(9) Uani 1 1 d . . . . .
O1 O 0.87539(19) 0.28468(17) 0.86847(13) 0.0330(5) Uani 1 1 d . . . . .
F10 F 0.3063(2) 0.1815(3) 0.74688(16) 0.0826(10) Uani 1 1 d . . . . .
N2 N 0.6978(2) 0.58646(17) 0.75780(14) 0.0235(6) Uani 1 1 d . . . . .
N1 N 0.6567(2) 0.43657(17) 0.74257(14) 0.0225(5) Uani 1 1 d . . . . .
C11 C 0.7443(3) 0.5003(2) 0.75233(17) 0.0232(6) Uani 1 1 d . . . . .
F5 F 0.5410(2) 0.3692(3) 0.98888(15) 0.0940(12) Uani 1 1 d . . . . .
F11 F 0.3220(2) 0.2491(2) 0.8461(2) 0.1000(12) Uani 1 1 d . . . . .
C27 C 0.9109(3) 0.4277(2) 0.7111(2) 0.0345(8) Uani 1 1 d . . . . .
C7 C 0.6635(3) 0.1073(2) 0.92159(18) 0.0280(7) Uani 1 1 d . . . . .
C13 C 0.5746(3) 0.5801(2) 0.76591(19) 0.0303(8) Uani 1 1 d . . . . .
C8 C 0.5423(3) 0.1179(2) 0.90064(19) 0.0321(8) Uani 1 1 d . . . . .
H20 H 0.4960 0.0925 0.9308 0.039 Uiso 1 1 calc R U . . .
C10 C 0.3534(3) 0.1727(3) 0.8176(2) 0.0409(9) Uani 1 1 d . . . . .
C22 C 1.0342(3) 0.4128(2) 0.7239(2) 0.0428(10) Uani 1 1 d . . . . .
C9 C 0.4875(3) 0.1651(2) 0.83605(19) 0.0288(7) Uani 1 1 d . . . . .
C3 C 0.8382(3) 0.3308(3) 0.9817(2) 0.0439(9) Uani 1 1 d . . . . .
H25 H 0.8735 0.3394 1.0324 0.053 Uiso 1 1 calc R U . . .
C1 C 1.0382(4) 0.2881(4) 0.9715(2) 0.0639(13) Uani 1 1 d D U . . .
C6 C 0.7176(3) 0.0602(3) 0.99505(19) 0.0369(8) Uani 1 1 d . . . . .
C26 C 0.8374(3) 0.3917(2) 0.6459(2) 0.0369(8) Uani 1 1 d . . . . .
H16 H 0.7550 0.4006 0.6359 0.044 Uiso 1 1 calc R U . . .
C17 C 0.5035(3) 0.6646(2) 0.7315(2) 0.0410(9) Uani 1 1 d . . . . .
H4A H 0.4235 0.6589 0.7374 0.062 Uiso 1 1 calc R U . . .
H4B H 0.5393 0.7227 0.7554 0.062 Uiso 1 1 calc R U . . .
H4C H 0.5014 0.6670 0.6792 0.062 Uiso 1 1 calc R U . . .
C12 C 0.5389(3) 0.4838(2) 0.72637(19) 0.0279(7) Uani 1 1 d . . . . .
C14 C 0.4520(3) 0.4261(3) 0.7554(2) 0.0421(9) Uani 1 1 d . . . . .
H7A H 0.3761 0.4585 0.7441 0.063 Uiso 1 1 calc R U . . .
H7B H 0.4430 0.3633 0.7324 0.063 Uiso 1 1 calc R U . . .
H7C H 0.4805 0.4190 0.8086 0.063 Uiso 1 1 calc R U . . .
C5 C 0.6520(4) 0.3853(3) 1.0100(2) 0.0482(10) Uani 1 1 d . . . . .
C18 C 0.8691(3) 0.4814(2) 0.7624(2) 0.0314(8) Uani 1 1 d . . . . .
C19 C 0.9459(3) 0.5171(3) 0.8239(2) 0.0435(9) Uani 1 1 d . . . . .
H9 H 0.9165 0.5547 0.8571 0.052 Uiso 1 1 calc R U . . .
C16 C 0.5848(4) 0.5768(3) 0.8482(2) 0.0454(10) Uani 1 1 d . . . . .
H5A H 0.5064 0.5725 0.8569 0.068 Uiso 1 1 calc R U . . .
H5B H 0.6309 0.5213 0.8693 0.068 Uiso 1 1 calc R U . . .
H5C H 0.6236 0.6345 0.8711 0.068 Uiso 1 1 calc R U . . .
C21 C 1.1088(4) 0.4478(3) 0.7895(3) 0.0611(13) Uani 1 1 d . . . . .
H11 H 1.1904 0.4352 0.7997 0.073 Uiso 1 1 calc R U . . .
C2 C 0.9070(3) 0.3024(3) 0.9353(2) 0.0390(9) Uani 1 1 d D . . . .
C4 C 0.7185(3) 0.3468(3) 0.9554(2) 0.0352(8) Uani 1 1 d . . . . .
C15 C 0.5009(3) 0.4929(3) 0.6437(2) 0.0409(9) Uani 1 1 d . . . . .
H6A H 0.4239 0.5235 0.6296 0.061 Uiso 1 1 calc R U . . .
H6B H 0.5581 0.5313 0.6266 0.061 Uiso 1 1 calc R U . . .
H6C H 0.4961 0.4298 0.6215 0.061 Uiso 1 1 calc R U . . .
C23 C 1.0782(4) 0.3631(3) 0.6716(3) 0.0606(13) Uani 1 1 d . . . . .
H13 H 1.1601 0.3529 0.6802 0.073 Uiso 1 1 calc R U . . .
C25 C 0.8850(4) 0.3437(3) 0.5971(3) 0.0536(11) Uani 1 1 d . . . . .
H15 H 0.8346 0.3194 0.5536 0.064 Uiso 1 1 calc R U . . .
C24 C 1.0060(5) 0.3296(3) 0.6095(3) 0.0667(15) Uani 1 1 d . . . . .
H14 H 1.0370 0.2969 0.5745 0.080 Uiso 1 1 calc R U . . .
C20 C 1.0659(4) 0.4994(3) 0.8384(3) 0.0598(12) Uani 1 1 d . . . . .
H10 H 1.1172 0.5229 0.8819 0.072 Uiso 1 1 calc R U . . .
F3A F 1.0822(3) 0.3592(5) 1.0132(3) 0.148(3) Uani 0.831(5) 1 d D U P A 1
F2A F 1.0542(4) 0.2100(5) 1.0060(4) 0.172(3) Uani 0.831(5) 1 d D U P A 1
F1A F 1.1035(3) 0.2858(4) 0.9241(2) 0.0828(14) Uani 0.831(5) 1 d D . P A 1
F2B F 1.0575(15) 0.2858(15) 1.0415(6) 0.0828(14) Uani 0.169(5) 1 d D U P A 2
F3B F 1.1008(15) 0.3549(12) 0.9579(11) 0.172(3) Uani 0.169(5) 1 d D U P A 2
F1B F 1.0808(16) 0.2128(11) 0.9538(10) 0.148(3) Uani 0.169(5) 1 d D U 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'
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
O5 Co1 O3 174.61(9) . .
O5 Co1 O4 91.01(9) . .
O3 Co1 O4 86.48(9) . .
O5 Co1 O6 82.47(9) . 2_646
O3 Co1 O6 92.94(9) . 2_646
O4 Co1 O6 93.93(9) . 2_646
O5 Co1 O1 100.17(9) . .
O3 Co1 O1 83.21(9) . .
O4 Co1 O1 164.66(9) . .
O6 Co1 O1 97.91(9) 2_646 .
O5 Co1 O2 92.92(9) . .
O3 Co1 O2 91.59(9) . .
O4 Co1 O2 84.64(9) . .
O6 Co1 O2 175.16(9) 2_646 .
O1 Co1 O2 84.33(9) . .
N1 O5 Co1 127.64(18) . .
N2 O6 Co1 125.45(18) . 2_656
C9 O4 Co1 122.9(2) . .
C4 O2 Co1 123.9(2) . .
C7 O3 Co1 122.5(2) . .
C2 O1 Co1 123.5(2) . .
O6 N2 C11 125.6(3) . .
O6 N2 C13 121.5(2) . .
C11 N2 C13 112.1(2) . .
O5 N1 C11 124.6(3) . .
O5 N1 C12 122.6(2) . .
C11 N1 C12 111.7(2) . .
N1 C11 N2 107.5(3) . .
N1 C11 C18 127.5(3) . .
N2 C11 C18 124.8(3) . .
C18 C27 C26 123.2(3) . .
C18 C27 C22 118.5(4) . .
C26 C27 C22 118.3(3) . .
O3 C7 C8 128.1(3) . .
O3 C7 C6 113.6(3) . .
C8 C7 C6 118.2(3) . .
N2 C13 C17 110.9(3) . .
N2 C13 C16 105.8(3) . .
C17 C13 C16 110.9(3) . .
N2 C13 C12 99.0(2) . .
C17 C13 C12 115.3(3) . .
C16 C13 C12 113.8(3) . .
C7 C8 C9 121.2(3) . .
C7 C8 H20 119.4 . .
C9 C8 H20 119.4 . .
F11 C10 F12 108.6(3) . .
F11 C10 F10 104.4(4) . .
F12 C10 F10 106.4(3) . .
F11 C10 C9 110.3(3) . .
F12 C10 C9 113.8(3) . .
F10 C10 C9 112.8(3) . .
C23 C22 C21 121.9(4) . .
C23 C22 C27 119.3(4) . .
C21 C22 C27 118.7(4) . .
O4 C9 C8 128.7(3) . .
O4 C9 C10 114.1(3) . .
C8 C9 C10 117.2(3) . .
C4 C3 C2 121.3(3) . .
C4 C3 H25 119.3 . .
C2 C3 H25 119.3 . .
F1B C1 F3B 106.7(12) . .
F1B C1 F2B 105.8(12) . .
F3B C1 F2B 105.3(11) . .
F2A C1 F3A 111.9(6) . .
F2A C1 F1A 106.8(5) . .
F3A C1 F1A 102.6(4) . .
F1B C1 C2 114.7(9) . .
F3B C1 C2 112.6(10) . .
F2A C1 C2 110.2(4) . .
F2B C1 C2 111.2(8) . .
F3A C1 C2 111.8(4) . .
F1A C1 C2 113.2(4) . .
F9 C6 F8 107.8(3) . .
F9 C6 F7 106.4(3) . .
F8 C6 F7 106.9(3) . .
F9 C6 C7 113.9(3) . .
F8 C6 C7 111.9(3) . .
F7 C6 C7 109.5(3) . .
C25 C26 C27 119.8(4) . .
C25 C26 H16 120.1 . .
C27 C26 H16 120.1 . .
C13 C17 H4A 109.5 . .
C13 C17 H4B 109.5 . .
H4A C17 H4B 109.5 . .
C13 C17 H4C 109.5 . .
H4A C17 H4C 109.5 . .
H4B C17 H4C 109.5 . .
N1 C12 C14 111.3(3) . .
N1 C12 C15 105.6(3) . .
C14 C12 C15 111.3(3) . .
N1 C12 C13 99.4(2) . .
C14 C12 C13 115.0(3) . .
C15 C12 C13 113.2(3) . .
C12 C14 H7A 109.5 . .
C12 C14 H7B 109.5 . .
H7A C14 H7B 109.5 . .
C12 C14 H7C 109.5 . .
H7A C14 H7C 109.5 . .
H7B C14 H7C 109.5 . .
F5 C5 F6 109.1(4) . .
F5 C5 F4 107.4(4) . .
F6 C5 F4 104.9(3) . .
F5 C5 C4 112.1(3) . .
F6 C5 C4 113.5(3) . .
F4 C5 C4 109.5(3) . .
C19 C18 C27 120.4(3) . .
C19 C18 C11 118.2(3) . .
C27 C18 C11 121.4(3) . .
C18 C19 C20 121.5(4) . .
C18 C19 H9 119.2 . .
C20 C19 H9 119.2 . .
C13 C16 H5A 109.5 . .
C13 C16 H5B 109.5 . .
H5A C16 H5B 109.5 . .
C13 C16 H5C 109.5 . .
H5A C16 H5C 109.5 . .
H5B C16 H5C 109.5 . .
C20 C21 C22 121.5(4) . .
C20 C21 H11 119.3 . .
C22 C21 H11 119.3 . .
O1 C2 C3 128.2(3) . .
O1 C2 C1 115.9(3) . .
C3 C2 C1 115.9(3) . .
O2 C4 C3 127.4(3) . .
O2 C4 C5 115.4(3) . .
C3 C4 C5 117.2(3) . .
C12 C15 H6A 109.5 . .
C12 C15 H6B 109.5 . .
H6A C15 H6B 109.5 . .
C12 C15 H6C 109.5 . .
H6A C15 H6C 109.5 . .
H6B C15 H6C 109.5 . .
C24 C23 C22 121.3(4) . .
C24 C23 H13 119.4 . .
C22 C23 H13 119.4 . .
C26 C25 C24 121.9(5) . .
C26 C25 H15 119.0 . .
C24 C25 H15 119.0 . .
C23 C24 C25 119.4(4) . .
C23 C24 H14 120.3 . .
C25 C24 H14 120.3 . .
C21 C20 C19 119.3(4) . .
C21 C20 H10 120.4 . .
C19 C20 H10 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O5 2.039(2) .
Co1 O3 2.060(2) .
Co1 O4 2.060(2) .
Co1 O6 2.064(2) 2_646
Co1 O1 2.076(2) .
Co1 O2 2.091(2) .
F8 C6 1.333(4) .
O5 N1 1.293(3) .
F9 C6 1.330(4) .
F7 C6 1.345(4) .
F6 C5 1.316(5) .
O6 N2 1.294(3) .
O6 Co1 2.064(2) 2_656
O4 C9 1.246(4) .
F12 C10 1.309(4) .
O2 C4 1.249(4) .
O3 C7 1.254(4) .
F4 C5 1.354(5) .
O1 C2 1.247(4) .
F10 C10 1.317(5) .
N2 C11 1.347(4) .
N2 C13 1.500(4) .
N1 C11 1.347(4) .
N1 C12 1.502(4) .
C11 C18 1.462(4) .
F5 C5 1.290(5) .
F11 C10 1.299(5) .
C27 C18 1.411(5) .
C27 C26 1.411(5) .
C27 C22 1.429(5) .
C7 C8 1.392(5) .
C7 C6 1.526(5) .
C13 C17 1.509(5) .
C13 C16 1.527(5) .
C13 C12 1.556(5) .
C8 C9 1.398(5) .
C8 H20 0.9500 .
C10 C9 1.535(5) .
C22 C23 1.410(6) .
C22 C21 1.417(6) .
C3 C4 1.393(5) .
C3 C2 1.393(5) .
C3 H25 0.9500 .
C1 F1B 1.254(12) .
C1 F3B 1.262(13) .
C1 F2A 1.270(7) .
C1 F2B 1.284(12) .
C1 F3A 1.301(6) .
C1 F1A 1.316(5) .
C1 C2 1.541(6) .
C26 C25 1.370(5) .
C26 H16 0.9500 .
C17 H4A 0.9800 .
C17 H4B 0.9800 .
C17 H4C 0.9800 .
C12 C14 1.515(4) .
C12 C15 1.517(5) .
C14 H7A 0.9800 .
C14 H7B 0.9800 .
C14 H7C 0.9800 .
C5 C4 1.539(5) .
C18 C19 1.377(5) .
C19 C20 1.394(6) .
C19 H9 0.9500 .
C16 H5A 0.9800 .
C16 H5B 0.9800 .
C16 H5C 0.9800 .
C21 C20 1.367(7) .
C21 H11 0.9500 .
C15 H6A 0.9800 .
C15 H6B 0.9800 .
C15 H6C 0.9800 .
C23 C24 1.351(7) .
C23 H13 0.9500 .
C25 C24 1.401(7) .
C25 H15 0.9500 .
C24 H14 0.9500 .
C20 H10 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
Co1 O6 N2 C11 83.7(3) 2_656
Co1 O6 N2 C13 -107.7(3) 2_656
Co1 O5 N1 C11 90.2(3) .
Co1 O5 N1 C12 -102.4(3) .
O5 N1 C11 N2 179.9(3) .
C12 N1 C11 N2 11.3(3) .
O5 N1 C11 C18 -5.5(5) .
C12 N1 C11 C18 -174.1(3) .
O6 N2 C11 N1 -179.5(3) .
C13 N2 C11 N1 11.0(4) .
O6 N2 C11 C18 5.8(5) .
C13 N2 C11 C18 -163.7(3) .
Co1 O3 C7 C8 23.7(5) .
Co1 O3 C7 C6 -153.4(2) .
O6 N2 C13 C17 41.4(4) .
C11 N2 C13 C17 -148.6(3) .
O6 N2 C13 C16 -78.8(3) .
C11 N2 C13 C16 91.1(3) .
O6 N2 C13 C12 163.1(3) .
C11 N2 C13 C12 -26.9(3) .
O3 C7 C8 C9 -0.6(6) .
C6 C7 C8 C9 176.4(3) .
C18 C27 C22 C23 -177.1(3) .
C26 C27 C22 C23 0.1(5) .
C18 C27 C22 C21 3.4(5) .
C26 C27 C22 C21 -179.4(3) .
Co1 O4 C9 C8 -20.2(5) .
Co1 O4 C9 C10 158.6(2) .
C7 C8 C9 O4 -1.4(6) .
C7 C8 C9 C10 179.8(3) .
F11 C10 C9 O4 -89.4(4) .
F12 C10 C9 O4 148.3(4) .
F10 C10 C9 O4 26.9(5) .
F11 C10 C9 C8 89.6(4) .
F12 C10 C9 C8 -32.7(5) .
F10 C10 C9 C8 -154.1(3) .
O3 C7 C6 F9 -163.1(3) .
C8 C7 C6 F9 19.5(4) .
O3 C7 C6 F8 -40.5(4) .
C8 C7 C6 F8 142.1(3) .
O3 C7 C6 F7 77.8(4) .
C8 C7 C6 F7 -99.6(4) .
C18 C27 C26 C25 177.1(3) .
C22 C27 C26 C25 0.1(5) .
O5 N1 C12 C14 42.5(4) .
C11 N1 C12 C14 -148.7(3) .
O5 N1 C12 C15 -78.5(3) .
C11 N1 C12 C15 90.3(3) .
O5 N1 C12 C13 164.1(3) .
C11 N1 C12 C13 -27.1(3) .
N2 C13 C12 N1 29.5(3) .
C17 C13 C12 N1 147.9(3) .
C16 C13 C12 N1 -82.3(3) .
N2 C13 C12 C14 148.4(3) .
C17 C13 C12 C14 -93.2(4) .
C16 C13 C12 C14 36.6(4) .
N2 C13 C12 C15 -82.1(3) .
C17 C13 C12 C15 36.3(4) .
C16 C13 C12 C15 166.2(3) .
C26 C27 C18 C19 -177.9(3) .
C22 C27 C18 C19 -0.9(5) .
C26 C27 C18 C11 2.3(5) .
C22 C27 C18 C11 179.3(3) .
N1 C11 C18 C19 -124.2(4) .
N2 C11 C18 C19 49.5(5) .
N1 C11 C18 C27 55.6(5) .
N2 C11 C18 C27 -130.7(3) .
C27 C18 C19 C20 -1.9(6) .
C11 C18 C19 C20 177.9(4) .
C23 C22 C21 C20 177.2(4) .
C27 C22 C21 C20 -3.4(6) .
Co1 O1 C2 C3 -23.0(6) .
Co1 O1 C2 C1 154.9(3) .
C4 C3 C2 O1 -2.7(7) .
C4 C3 C2 C1 179.5(4) .
F1B C1 C2 O1 -44.7(12) .
F3B C1 C2 O1 77.5(11) .
F2A C1 C2 O1 -101.0(6) .
F2B C1 C2 O1 -164.6(10) .
F3A C1 C2 O1 133.8(5) .
F1A C1 C2 O1 18.5(6) .
F1B C1 C2 C3 133.4(11) .
F3B C1 C2 C3 -104.3(11) .
F2A C1 C2 C3 77.1(6) .
F2B C1 C2 C3 13.6(11) .
F3A C1 C2 C3 -48.1(7) .
F1A C1 C2 C3 -163.3(4) .
Co1 O2 C4 C3 21.6(5) .
Co1 O2 C4 C5 -159.6(3) .
C2 C3 C4 O2 3.4(7) .
C2 C3 C4 C5 -175.4(4) .
F5 C5 C4 O2 22.0(5) .
F6 C5 C4 O2 146.2(4) .
F4 C5 C4 O2 -97.0(4) .
F5 C5 C4 C3 -159.1(4) .
F6 C5 C4 C3 -34.9(5) .
F4 C5 C4 C3 81.9(5) .
C21 C22 C23 C24 179.7(4) .
C27 C22 C23 C24 0.2(6) .
C27 C26 C25 C24 -0.5(6) .
C22 C23 C24 C25 -0.7(7) .
C26 C25 C24 C23 0.8(6) .
C22 C21 C20 C19 0.7(7) .
C18 C19 C20 C21 2.1(7) .
