#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:08:03 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185166 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/41/7224125.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_7224125
loop_
_publ_author_name
'Shao, Dong'
'Shi, Le'
'Zhang, Shao-Liang'
'Zhao, Xin-Hua'
'Wu, Dong-Qing'
'Wei, Xiao-Qin'
'Wang, Xin-Yi'
_publ_section_title
;
 Syntheses, structures, and magnetic properties of three new chain
 compounds based on a pentagonal bipyramidal Co(ii) building block
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4150
_journal_paper_doi               10.1039/C5CE02594J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C29 H30 B2 Co F8 N10 O'
_chemical_formula_weight         767.18
_chemical_name_common            C29H30B2CoF8N10O
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-02-02 deposited with the CCDC.
2016-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                95.953(2)
_cell_angle_beta                 107.564(2)
_cell_angle_gamma                99.913(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7431(11)
_cell_length_b                   12.2307(14)
_cell_length_c                   14.5005(17)
_cell_measurement_reflns_used    2755
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      23.69
_cell_measurement_theta_min      2.24
_cell_volume                     1600.4(3)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11053
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.627
_exptl_absorpt_correction_T_max  0.9009
_exptl_absorpt_correction_T_min  0.7831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS: Bruker, 2000'
_exptl_crystal_colour            ORANGE
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             782
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         7362
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0799P)²+0.2989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1281
_refine_ls_wR_factor_ref         0.1490
_reflns_number_gt                5318
_reflns_number_total             7362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02594j2.cif
_cod_data_source_block           Co-tdmmb-pyz
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'multi-Scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7224123--7224125.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7224125
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.97164(4) 0.49134(3) 0.24594(3) 0.02745(13) Uani 1 1 d . . .
N1 N 1.1948(3) 0.4850(2) 0.28807(17) 0.0364(5) Uani 1 1 d . . .
N2 N 0.9845(3) 0.3086(2) 0.23053(17) 0.0363(5) Uani 1 1 d . . .
N3 N 0.8531(3) 0.2290(2) 0.19086(19) 0.0466(7) Uani 1 1 d . . .
N4 N 0.7586(3) 0.3878(2) 0.18057(17) 0.0360(5) Uani 1 1 d . . .
N5 N 0.8296(3) 0.6055(2) 0.21876(17) 0.0368(5) Uani 1 1 d . . .
N6 N 1.0266(3) 0.7551(2) 0.2863(2) 0.0467(7) Uani 1 1 d . . .
N7 N 1.1034(3) 0.6698(2) 0.29611(17) 0.0383(6) Uani 1 1 d . . .
N8 N 0.9805(2) 0.49195(19) 0.39971(16) 0.0308(5) Uani 1 1 d . . .
N9 N 0.9857(2) 0.49736(19) 0.09288(15) 0.0298(5) Uani 1 1 d . . .
N29 N 0.7085(5) 0.2848(4) 0.4200(4) 0.1095(16) Uani 1 1 d . . .
C1 C 1.4845(4) 0.4713(5) 0.3616(3) 0.0763(13) Uani 1 1 d . . .
H1 H 1.5846 0.4666 0.3891 0.092 Uiso 1 1 calc R . .
C2 C 1.3802(4) 0.3761(4) 0.3213(3) 0.0661(11) Uani 1 1 d . . .
H2 H 1.4066 0.3049 0.3183 0.079 Uiso 1 1 calc R . .
C3 C 1.2333(3) 0.3840(3) 0.2843(2) 0.0435(7) Uani 1 1 d . . .
C4 C 1.1110(4) 0.2853(3) 0.2399(2) 0.0445(8) Uani 1 1 d . . .
C5 C 1.1442(5) 0.1760(3) 0.2051(3) 0.0747(12) Uani 1 1 d . . .
H5A H 1.1694 0.1342 0.2598 0.112 Uiso 1 1 calc R . .
H5B H 1.2273 0.1912 0.1802 0.112 Uiso 1 1 calc R . .
H5C H 1.0574 0.1312 0.1526 0.112 Uiso 1 1 calc R . .
C6 C 0.8356(6) 0.1148(3) 0.2151(3) 0.0739(12) Uani 1 1 d . . .
H6A H 0.8446 0.0623 0.1624 0.111 Uiso 1 1 calc R . .
H6B H 0.7383 0.0921 0.2222 0.111 Uiso 1 1 calc R . .
H6C H 0.9123 0.1138 0.2768 0.111 Uiso 1 1 calc R . .
C7 C 0.7310(4) 0.2772(3) 0.1647(2) 0.0441(8) Uani 1 1 d . . .
C8 C 0.5848(5) 0.2128(4) 0.1184(3) 0.0652(11) Uani 1 1 d . . .
H8 H 0.5658 0.1329 0.1055 0.078 Uiso 1 1 calc R . .
C9 C 0.4722(4) 0.2687(4) 0.0929(3) 0.0750(14) Uani 1 1 d . . .
H9 H 0.3742 0.2264 0.0624 0.090 Uiso 1 1 calc R . .
C10 C 0.4971(4) 0.3864(4) 0.1103(3) 0.0605(10) Uani 1 1 d . . .
C11 C 0.3894(4) 0.4543(6) 0.0854(3) 0.0813(16) Uani 1 1 d . . .
H11 H 0.2885 0.4187 0.0545 0.098 Uiso 1 1 calc R . .
C12 C 0.4286(5) 0.5688(6) 0.1052(3) 0.0829(15) Uani 1 1 d . . .
H12 H 0.3544 0.6113 0.0878 0.099 Uiso 1 1 calc R . .
C13 C 0.5771(4) 0.6258(4) 0.1510(3) 0.0610(11) Uani 1 1 d . . .
C14 C 0.6836(3) 0.5607(3) 0.1752(2) 0.0434(8) Uani 1 1 d . . .
C15 C 0.6448(3) 0.4414(3) 0.1544(2) 0.0431(7) Uani 1 1 d . . .
C16 C 0.6302(6) 0.7430(4) 0.1737(3) 0.0744(13) Uani 1 1 d . . .
H16 H 0.5632 0.7915 0.1578 0.089 Uiso 1 1 calc R . .
C17 C 0.7759(6) 0.7877(4) 0.2182(3) 0.0696(12) Uani 1 1 d . . .
H17 H 0.8105 0.8670 0.2336 0.084 Uiso 1 1 calc R . .
C18 C 0.8765(4) 0.7160(3) 0.2415(2) 0.0456(8) Uani 1 1 d . . .
C19 C 1.0813(6) 0.8644(3) 0.3530(3) 0.0810(14) Uani 1 1 d . . .
H19A H 1.1573 0.8569 0.4128 0.121 Uiso 1 1 calc R . .
H19B H 0.9995 0.8877 0.3700 0.121 Uiso 1 1 calc R . .
H19C H 1.1235 0.9211 0.3203 0.121 Uiso 1 1 calc R . .
C20 C 1.2443(4) 0.6852(3) 0.3206(2) 0.0446(8) Uani 1 1 d . . .
C21 C 1.3569(5) 0.7934(4) 0.3370(3) 0.0800(14) Uani 1 1 d . . .
H21A H 1.3091 0.8488 0.3028 0.120 Uiso 1 1 calc R . .
H21B H 1.4354 0.7785 0.3114 0.120 Uiso 1 1 calc R . .
H21C H 1.3992 0.8229 0.4074 0.120 Uiso 1 1 calc R . .
C22 C 1.2985(3) 0.5797(3) 0.3251(2) 0.0445(8) Uani 1 1 d . . .
C23 C 1.4479(4) 0.5754(4) 0.3636(3) 0.0696(12) Uani 1 1 d . . .
H23 H 1.5217 0.6424 0.3902 0.084 Uiso 1 1 calc R . .
C24 C 0.9336(3) 0.5690(2) 0.4471(2) 0.0373(6) Uani 1 1 d . . .
H24 H 0.8847 0.6200 0.4115 0.045 Uiso 1 1 calc R . .
C25 C 1.0465(3) 0.4224(3) 0.4542(2) 0.0389(7) Uani 1 1 d . . .
H25 H 1.0809 0.3652 0.4238 0.047 Uiso 1 1 calc R . .
C26 C 1.0271(3) 0.5932(2) 0.0634(2) 0.0335(6) Uani 1 1 d . . .
H26 H 1.0471 0.6621 0.1067 0.040 Uiso 1 1 calc R . .
C27 C 0.9580(3) 0.4040(2) 0.0280(2) 0.0347(6) Uani 1 1 d . . .
H27 H 0.9271 0.3333 0.0454 0.042 Uiso 1 1 calc R . .
C28 C 0.6473(5) 0.1951(5) 0.3991(4) 0.0742(12) Uani 1 1 d . . .
C30 C 0.5660(7) 0.0803(5) 0.3719(4) 0.1066(18) Uani 1 1 d . . .
H30A H 0.6349 0.0296 0.3827 0.160 Uiso 1 1 calc R . .
H30B H 0.5058 0.0665 0.3025 0.160 Uiso 1 1 calc R . .
H30C H 0.5019 0.0666 0.4120 0.160 Uiso 1 1 calc R . .
B1 B 1.2183(5) 0.1581(4) 0.4923(3) 0.0599(11) Uani 1 1 d D . .
F1A F 1.3231(16) 0.1420(15) 0.4567(10) 0.169(8) Uani 0.515(11) 1 d PD A 1
F2A F 1.0902(15) 0.1406(17) 0.4213(12) 0.117(5) Uani 0.515(11) 1 d PD A 1
F3A F 1.2497(9) 0.2475(6) 0.5581(8) 0.110(5) Uani 0.515(11) 1 d PD A 1
F4A F 1.2039(13) 0.0701(8) 0.5465(8) 0.140(4) Uani 0.515(11) 1 d PD A 1
F1B F 1.2880(16) 0.0827(11) 0.4773(16) 0.171(8) Uani 0.485(11) 1 d PD A 2
F2B F 1.2817(10) 0.2560(7) 0.4640(8) 0.125(4) Uani 0.485(11) 1 d PD A 2
F3B F 1.0747(15) 0.137(2) 0.4445(15) 0.144(8) Uani 0.485(11) 1 d PD A 2
F4B F 1.2467(15) 0.1858(17) 0.5838(7) 0.175(7) Uani 0.485(11) 1 d PD A 2
B2 B -0.2876(8) 0.0774(5) -0.0929(4) 0.0879(19) Uani 1 1 d DU . .
F5A F -0.321(2) 0.0098(12) -0.1664(11) 0.132(6) Uani 0.323(10) 1 d PDU B 1
F6A F -0.288(3) 0.0070(16) -0.0315(17) 0.182(13) Uani 0.323(10) 1 d PDU B 1
F7A F -0.306(3) 0.1769(16) -0.091(3) 0.246(17) Uani 0.323(10) 1 d PD B 1
F8A F -0.139(2) 0.1325(17) -0.063(4) 0.34(2) Uani 0.323(10) 1 d PD B 1
F5B F -0.2236(12) 0.0548(9) -0.1626(5) 0.140(4) Uani 0.677(10) 1 d PD B 2
F6B F -0.2346(17) 0.0285(11) -0.0182(6) 0.183(6) Uani 0.677(10) 1 d PD B 2
F7B F -0.2670(10) 0.1863(5) -0.0666(8) 0.124(3) Uani 0.677(10) 1 d PD B 2
F8B F -0.4456(6) 0.0481(4) -0.1370(5) 0.139(3) Uani 0.677(10) 1 d PD B 2
O1 O 0.0863(10) 0.1436(7) -0.0466(7) 0.268(4) Uani 1 1 d . . .
H1C H 0.0250 0.1336 -0.1021 0.402 Uiso 1 1 d . . .
H1D H 0.0466 0.1220 -0.0062 0.402 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
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
N1 Co1 N4 141.72(10) . .
N1 Co1 N5 141.86(10) . .
N4 Co1 N5 75.52(10) . .
N1 Co1 N8 88.94(9) . .
N4 Co1 N8 96.98(8) . .
N5 Co1 N8 94.77(9) . .
N1 Co1 N2 72.56(10) . .
N4 Co1 N2 69.62(9) . .
N5 Co1 N2 145.13(10) . .
N8 Co1 N2 90.38(8) . .
N1 Co1 N7 72.48(10) . .
N4 Co1 N7 145.44(10) . .
N5 Co1 N7 69.93(10) . .
N8 Co1 N7 86.23(8) . .
N2 Co1 N7 144.92(10) . .
N1 Co1 N9 86.16(8) . .
N4 Co1 N9 88.23(8) . .
N5 Co1 N9 87.77(8) . .
N8 Co1 N9 174.64(8) . .
N2 Co1 N9 90.23(8) . .
N7 Co1 N9 90.22(8) . .
C22 N1 C3 120.2(3) . .
C22 N1 Co1 120.2(2) . .
C3 N1 Co1 119.5(2) . .
C4 N2 N3 123.1(3) . .
C4 N2 Co1 117.7(2) . .
N3 N2 Co1 117.64(18) . .
C7 N3 N2 112.7(2) . .
C7 N3 C6 119.2(3) . .
N2 N3 C6 122.5(3) . .
C7 N4 C15 119.2(3) . .
C7 N4 Co1 124.2(2) . .
C15 N4 Co1 116.5(2) . .
C18 N5 C14 119.7(3) . .
C18 N5 Co1 123.3(2) . .
C14 N5 Co1 117.0(2) . .
N7 N6 C18 112.9(2) . .
N7 N6 C19 122.4(3) . .
C18 N6 C19 119.2(3) . .
C20 N7 N6 124.3(3) . .
C20 N7 Co1 117.6(2) . .
N6 N7 Co1 117.50(19) . .
C24 N8 C25 115.5(2) . .
C24 N8 Co1 122.04(18) . .
C25 N8 Co1 122.10(18) . .
C26 N9 C27 115.7(2) . .
C26 N9 Co1 122.45(17) . .
C27 N9 Co1 121.84(18) . .
C2 C1 C23 121.0(4) . .
C2 C1 H1 119.5 . .
C23 C1 H1 119.5 . .
C1 C2 C3 119.0(4) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
N1 C3 C2 120.9(3) . .
N1 C3 C4 115.8(3) . .
C2 C3 C4 123.3(3) . .
N2 C4 C3 112.7(3) . .
N2 C4 C5 128.1(3) . .
C3 C4 C5 119.1(3) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N3 C6 H6A 109.5 . .
N3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N4 C7 N3 115.8(3) . .
N4 C7 C8 121.1(4) . .
N3 C7 C8 123.0(3) . .
C9 C8 C7 118.4(4) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C8 C9 C10 122.0(3) . .
C8 C9 H9 119.0 . .
C10 C9 H9 119.0 . .
C15 C10 C9 114.9(4) . .
C15 C10 C11 117.9(4) . .
C9 C10 C11 127.2(4) . .
C12 C11 C10 121.4(4) . .
C12 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
C11 C12 C13 121.5(4) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
C14 C13 C16 115.9(4) . .
C14 C13 C12 117.8(4) . .
C16 C13 C12 126.4(4) . .
N5 C14 C13 123.3(3) . .
N5 C14 C15 115.2(3) . .
C13 C14 C15 121.5(3) . .
N4 C15 C10 124.3(3) . .
N4 C15 C14 115.8(3) . .
C10 C15 C14 120.0(3) . .
C17 C16 C13 120.8(3) . .
C17 C16 H16 119.6 . .
C13 C16 H16 119.6 . .
C16 C17 C18 119.9(4) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
N5 C18 N6 116.3(3) . .
N5 C18 C17 120.4(4) . .
N6 C18 C17 123.3(3) . .
N6 C19 H19A 109.5 . .
N6 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N6 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N7 C20 C22 113.4(3) . .
N7 C20 C21 129.0(4) . .
C22 C20 C21 117.3(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N1 C22 C23 120.6(3) . .
N1 C22 C20 115.4(3) . .
C23 C22 C20 123.9(3) . .
C1 C23 C22 118.3(4) . .
C1 C23 H23 120.9 . .
C22 C23 H23 120.9 . .
N8 C24 C25 122.4(3) . 2_766
N8 C24 H24 118.8 . .
C25 C24 H24 118.8 2_766 .
N8 C25 C24 122.1(3) . 2_766
N8 C25 H25 118.9 . .
C24 C25 H25 118.9 2_766 .
N9 C26 C27 122.2(2) . 2_765
N9 C26 H26 118.9 . .
C27 C26 H26 118.9 2_765 .
N9 C27 C26 122.1(2) . 2_765
N9 C27 H27 119.0 . .
C26 C27 H27 119.0 2_765 .
N29 C28 C30 179.0(6) . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
F4B B1 F1B 109.1(12) . .
F3A B1 F1A 116.0(9) . .
F3A B1 F2A 116.1(10) . .
F1A B1 F2A 110.8(12) . .
F4B B1 F3B 111.7(13) . .
F1B B1 F3B 117.3(14) . .
F4B B1 F2B 103.8(8) . .
F1B B1 F2B 107.0(9) . .
F3B B1 F2B 106.9(11) . .
F3A B1 F4A 102.7(7) . .
F1A B1 F4A 104.4(8) . .
F2A B1 F4A 105.1(10) . .
F5A B2 F7A 124.3(19) . .
F5A B2 F6A 98.0(15) . .
F7A B2 F6A 133(2) . .
F6B B2 F7B 111.6(9) . .
F6B B2 F5B 109.5(8) . .
F7B B2 F5B 110.4(8) . .
F5A B2 F8A 111.6(19) . .
F7A B2 F8A 82.2(16) . .
F6A B2 F8A 102.9(19) . .
F6B B2 F8B 115.1(9) . .
F7B B2 F8B 100.6(6) . .
F5B B2 F8B 109.4(7) . .
H1C O1 H1D 110.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 2.092(2) .
Co1 N4 2.114(2) .
Co1 N5 2.115(2) .
Co1 N8 2.204(2) .
Co1 N2 2.252(2) .
Co1 N7 2.255(2) .
Co1 N9 2.272(2) .
N1 C22 1.338(4) .
N1 C3 1.352(4) .
N2 C4 1.283(4) .
N2 N3 1.388(4) .
N3 C7 1.386(4) .
N3 C6 1.470(4) .
N4 C7 1.315(4) .
N4 C15 1.360(4) .
N5 C18 1.322(4) .
N5 C14 1.357(4) .
N6 N7 1.380(4) .
N6 C18 1.382(5) .
N6 C19 1.477(4) .
N7 C20 1.284(4) .
N8 C24 1.331(3) .
N8 C25 1.335(3) .
N9 C26 1.328(3) .
N9 C27 1.334(3) .
N29 C28 1.117(6) .
C1 C2 1.350(6) .
C1 C23 1.380(7) .
C1 H1 0.9500 .
C2 C3 1.392(5) .
C2 H2 0.9500 .
C3 C4 1.474(5) .
C4 C5 1.501(5) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.424(5) .
C8 C9 1.369(6) .
C8 H8 0.9500 .
C9 C10 1.401(6) .
C9 H9 0.9500 .
C10 C15 1.398(4) .
C10 C11 1.434(6) .
C11 C12 1.362(7) .
C11 H11 0.9500 .
C12 C13 1.414(6) .
C12 H12 0.9500 .
C13 C14 1.398(5) .
C13 C16 1.405(6) .
C14 C15 1.420(5) .
C16 C17 1.355(7) .
C16 H16 0.9500 .
C17 C18 1.414(5) .
C17 H17 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C22 1.477(5) .
C20 C21 1.512(5) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.405(5) .
C23 H23 0.9500 .
C24 C25 1.376(4) 2_766
C24 H24 0.9500 .
C25 C24 1.376(4) 2_766
C25 H25 0.9500 .
C26 C27 1.380(4) 2_765
C26 H26 0.9500 .
C27 C26 1.379(4) 2_765
C27 H27 0.9500 .
C28 C30 1.438(7) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
B1 F4B 1.267(9) .
B1 F1B 1.273(10) .
B1 F3A 1.301(8) .
B1 F1A 1.309(10) .
B1 F2A 1.324(12) .
B1 F3B 1.326(13) .
B1 F2B 1.409(7) .
B1 F4A 1.409(8) .
B2 F5A 1.200(12) .
B2 F7A 1.260(15) .
B2 F6A 1.302(15) .
B2 F6B 1.304(10) .
B2 F7B 1.310(8) .
B2 F5B 1.367(8) .
B2 F8A 1.405(16) .
B2 F8B 1.440(8) .
O1 H1C 0.827 .
O1 H1D 0.834 .
