#------------------------------------------------------------------------------
#$Date: 2017-04-04 16:00:29 +0300 (Tue, 04 Apr 2017) $
#$Revision: 194806 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/52/4345258.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_4345258
loop_
_publ_author_name
'Reath, Alexander H.'
'Ziller, Joseph W.'
'Tsay, Charlene'
'Ryan, Austin J.'
'Yang, Jenny Y.'
_publ_section_title
;
 Redox Potential and Electronic Structure Effects of Proximal Nonredox
 Active Cations in Cobalt Schiff Base Complexes.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3713
_journal_page_last               3718
_journal_paper_doi               10.1021/acs.inorgchem.6b03098
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C22 H24 B Co F4 N2 Na O6'
_chemical_formula_weight         581.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90.7684(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1393(10)
_cell_length_b                   6.9857(5)
_cell_length_c                   25.0071(19)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      28.65
_cell_measurement_theta_min      2.92
_cell_volume                     2295.1(3)
_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
_computing_data_collection       'Bruker APEX2 2014.11-0, 2014'
_computing_data_reduction        'Bruker SAINT 8.34a, 2013'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5274
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         1.550
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_T_max  0.8014
_exptl_absorpt_correction_T_min  0.7339
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker TWINABS 2012/1'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    not_measured
_exptl_crystal_description       prism
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.256
_exptl_crystal_size_min          0.218
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0290
_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)+(0.0339P)²+1.3929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0716
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4966
_reflns_number_total             5274
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b03098_si_006.cif
_cod_data_source_block           jyy73
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4345257--4345264.cif.
;
_cod_database_code               4345258
_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   0.801
_shelx_estimated_absorpt_t_max   0.837
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.46956(2) 0.71248(3) 0.46738(2) 0.01867(7) Uani 1 1 d . . . . .
Na1 Na 0.25513(5) 0.68483(9) 0.37535(3) 0.01806(14) Uani 1 1 d . . . . .
O1 O 0.32853(9) 0.70968(16) 0.47048(5) 0.0192(2) Uani 1 1 d . . . . .
O2 O 0.44964(9) 0.66050(18) 0.39522(5) 0.0206(2) Uani 1 1 d . . . . .
O3 O 0.38367(9) 0.56090(18) 0.30088(5) 0.0222(3) Uani 1 1 d . . . . .
O4 O 0.19975(10) 0.6908(2) 0.27252(5) 0.0276(3) Uani 1 1 d . . . . .
O5 O 0.05692(10) 0.7083(2) 0.35439(5) 0.0270(3) Uani 1 1 d . . . . .
O6 O 0.13092(9) 0.67930(17) 0.45705(5) 0.0207(2) Uani 1 1 d . . . . .
N1 N 0.48822(12) 0.7776(2) 0.53897(6) 0.0256(3) Uani 1 1 d . . . . .
N2 N 0.61055(11) 0.7090(2) 0.46407(7) 0.0251(3) Uani 1 1 d . . . . .
B1 B 0.17188(14) 1.1646(3) 0.37195(8) 0.0193(4) Uani 1 1 d . . . . .
F1 F 0.24344(8) 1.02148(14) 0.36125(4) 0.0264(2) Uani 1 1 d . . . . .
F2 F 0.22117(8) 1.34385(13) 0.37346(4) 0.0218(2) Uani 1 1 d . . . . .
F3 F 0.12907(9) 1.13005(17) 0.42119(5) 0.0322(3) Uani 1 1 d . . . . .
F4 F 0.09773(9) 1.16902(15) 0.33196(5) 0.0315(3) Uani 1 1 d . . . . .
C1 C 0.27199(13) 0.7542(2) 0.51170(6) 0.0198(3) Uani 1 1 d . . . . .
C2 C 0.16415(14) 0.7471(2) 0.50556(7) 0.0213(3) Uani 1 1 d . . . . .
C3 C 0.10108(16) 0.8056(3) 0.54588(8) 0.0289(4) Uani 1 1 d . . . . .
H3A H 0.0294 0.8039 0.5404 0.035 Uiso 1 1 calc R U . . .
C4 C 0.14198(18) 0.8681(3) 0.59529(8) 0.0350(5) Uani 1 1 d . . . . .
H4A H 0.0981 0.9096 0.6229 0.042 Uiso 1 1 calc R U . . .
C5 C 0.24433(18) 0.8687(3) 0.60317(7) 0.0350(5) Uani 1 1 d . . . . .
H5A H 0.2715 0.9072 0.6369 0.042 Uiso 1 1 calc R U . . .
C6 C 0.31159(16) 0.8130(2) 0.56215(7) 0.0268(4) Uani 1 1 d . . . . .
C7 C 0.41797(16) 0.8180(3) 0.57259(7) 0.0293(4) Uani 1 1 d . . . . .
H7A H 0.4393 0.8544 0.6076 0.035 Uiso 1 1 calc R U . . .
C8 C 0.59427(17) 0.7805(3) 0.55889(9) 0.0403(5) Uani 1 1 d . . . . .
H8A H 0.6052 0.6733 0.5842 0.048 Uiso 1 1 calc R U . . .
H8B H 0.6073 0.9018 0.5783 0.048 Uiso 1 1 calc R U . . .
C9 C 0.66598(17) 0.7631(3) 0.51396(9) 0.0405(5) Uani 1 1 d . . . . .
H9A H 0.7179 0.6648 0.5226 0.049 Uiso 1 1 calc R U . . .
H9B H 0.7014 0.8867 0.5086 0.049 Uiso 1 1 calc R U . . .
C10 C 0.66430(13) 0.6694(3) 0.42296(9) 0.0296(4) Uani 1 1 d . . . . .
H10A H 0.7362 0.6728 0.4275 0.035 Uiso 1 1 calc R U . . .
C11 C 0.62558(13) 0.6205(3) 0.37087(8) 0.0256(4) Uani 1 1 d . . . . .
C12 C 0.69475(14) 0.5732(3) 0.33020(9) 0.0316(4) Uani 1 1 d . . . . .
H12A H 0.7657 0.5749 0.3379 0.038 Uiso 1 1 calc R U . . .
C13 C 0.66155(15) 0.5253(3) 0.28024(9) 0.0331(5) Uani 1 1 d . . . . .
H13A H 0.7092 0.4952 0.2532 0.040 Uiso 1 1 calc R U . . .
C14 C 0.55654(15) 0.5205(3) 0.26862(8) 0.0278(4) Uani 1 1 d . . . . .
H14A H 0.5334 0.4869 0.2337 0.033 Uiso 1 1 calc R U . . .
C15 C 0.48700(13) 0.5641(2) 0.30760(7) 0.0215(3) Uani 1 1 d . . . . .
C16 C 0.51951(13) 0.6180(2) 0.36003(7) 0.0207(3) Uani 1 1 d . . . . .
C17 C 0.34598(14) 0.5190(3) 0.24822(7) 0.0240(4) Uani 1 1 d . . . . .
H17A H 0.3730 0.3948 0.2357 0.029 Uiso 1 1 calc R U . . .
H17B H 0.3668 0.6201 0.2229 0.029 Uiso 1 1 calc R U . . .
C18 C 0.23196(14) 0.5111(3) 0.25172(7) 0.0270(4) Uani 1 1 d . . . . .
H18A H 0.2012 0.4890 0.2159 0.032 Uiso 1 1 calc R U . . .
H18B H 0.2110 0.4057 0.2757 0.032 Uiso 1 1 calc R U . . .
C19 C 0.09605(16) 0.7416(3) 0.26379(8) 0.0224(4) Uani 0.85 1 d . . P A 1
H19A H 0.0756 0.7082 0.2267 0.027 Uiso 0.85 1 calc R U P A 1
H19B H 0.0880 0.8816 0.2682 0.027 Uiso 0.85 1 calc R U P A 1
C20 C 0.02810(15) 0.6391(4) 0.30247(9) 0.0219(4) Uani 0.85 1 d . . P A 1
H20A H -0.0443 0.6682 0.2946 0.026 Uiso 0.85 1 calc R U P A 1
H20B H 0.0382 0.4989 0.3002 0.026 Uiso 0.85 1 calc R U P A 1
C19B C 0.0839(8) 0.602(2) 0.2669(4) 0.025(3) Uani 0.15 1 d . . P A 2
H19C H 0.0601 0.5920 0.2292 0.030 Uiso 0.15 1 calc R U P A 2
H19D H 0.0764 0.4775 0.2852 0.030 Uiso 0.15 1 calc R U P A 2
C20B C 0.0371(10) 0.756(2) 0.2949(5) 0.028(3) Uani 0.15 1 d . . P A 2
H20C H -0.0368 0.7622 0.2869 0.033 Uiso 0.15 1 calc R U P A 2
H20D H 0.0684 0.8804 0.2854 0.033 Uiso 0.15 1 calc R U P A 2
C21 C 0.00254(13) 0.6077(3) 0.39344(8) 0.0270(4) Uani 1 1 d . . . . .
H21A H 0.0240 0.4719 0.3941 0.032 Uiso 1 1 calc R U . . .
H21B H -0.0713 0.6127 0.3852 0.032 Uiso 1 1 calc R U . . .
C22 C 0.02384(13) 0.6984(3) 0.44623(7) 0.0233(4) Uani 1 1 d . . . . .
H22A H 0.0044 0.8353 0.4453 0.028 Uiso 1 1 calc R U . . .
H22B H -0.0157 0.6341 0.4745 0.028 Uiso 1 1 calc R U . . .
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'
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'
Na Na 0.0362 0.0249 '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
N2 Co1 O2 94.70(6) . .
N2 Co1 O1 178.64(6) . .
O2 Co1 O1 84.87(5) . .
N2 Co1 N1 85.84(7) . .
O2 Co1 N1 177.09(6) . .
O1 Co1 N1 94.66(6) . .
N2 Co1 Na1 137.74(5) . .
O2 Co1 Na1 43.35(4) . .
O1 Co1 Na1 41.99(4) . .
N1 Co1 Na1 135.76(5) . .
F1 Na1 F2 162.87(4) . 1_545
F1 Na1 O1 95.35(4) . .
F2 Na1 O1 98.73(4) 1_545 .
F1 Na1 O2 98.85(4) . .
F2 Na1 O2 96.87(4) 1_545 .
O1 Na1 O2 58.02(4) . .
F1 Na1 O6 95.16(4) . .
F2 Na1 O6 83.39(4) 1_545 .
O1 Na1 O6 60.64(4) . .
O2 Na1 O6 117.92(4) . .
F1 Na1 O5 81.30(4) . .
F2 Na1 O5 82.94(4) 1_545 .
O1 Na1 O5 122.38(5) . .
O2 Na1 O5 179.57(5) . .
O6 Na1 O5 62.45(4) . .
F1 Na1 O4 79.95(4) . .
F2 Na1 O4 87.06(4) 1_545 .
O1 Na1 O4 172.08(5) . .
O2 Na1 O4 116.12(5) . .
O6 Na1 O4 125.83(5) . .
O5 Na1 O4 63.50(4) . .
F1 Na1 O3 104.86(5) . .
F2 Na1 O3 77.65(4) 1_545 .
O1 Na1 O3 115.80(4) . .
O2 Na1 O3 58.95(4) . .
O6 Na1 O3 159.97(5) . .
O5 Na1 O3 120.62(4) . .
O4 Na1 O3 59.98(4) . .
F1 Na1 Co1 95.13(3) . .
F2 Na1 Co1 101.91(3) 1_545 .
O1 Na1 Co1 29.00(3) . .
O2 Na1 Co1 29.30(3) . .
O6 Na1 Co1 89.58(3) . .
O5 Na1 Co1 151.11(4) . .
O4 Na1 Co1 144.43(4) . .
O3 Na1 Co1 88.08(3) . .
C1 O1 Co1 127.20(11) . .
C1 O1 Na1 122.29(10) . .
Co1 O1 Na1 109.01(6) . .
C16 O2 Co1 127.21(11) . .
C16 O2 Na1 125.44(10) . .
Co1 O2 Na1 107.35(5) . .
C15 O3 C17 116.60(13) . .
C15 O3 Na1 123.01(10) . .
C17 O3 Na1 119.54(10) . .
C19 O4 C18 116.91(15) . .
C18 O4 C19B 85.2(5) . .
C19 O4 Na1 113.64(11) . .
C18 O4 Na1 105.07(10) . .
C19B O4 Na1 108.5(4) . .
C21 O5 C20 109.30(15) . .
C21 O5 C20B 134.2(5) . .
C21 O5 Na1 109.77(10) . .
C20 O5 Na1 113.90(11) . .
C20B O5 Na1 110.9(5) . .
C2 O6 C22 115.80(13) . .
C2 O6 Na1 119.29(10) . .
C22 O6 Na1 117.95(10) . .
C7 N1 C8 117.32(16) . .
C7 N1 Co1 126.54(13) . .
C8 N1 Co1 116.14(14) . .
C10 N2 C9 117.27(17) . .
C10 N2 Co1 126.74(13) . .
C9 N2 Co1 115.96(14) . .
F3 B1 F4 110.85(15) . .
F3 B1 F1 109.13(14) . .
F4 B1 F1 110.18(15) . .
F3 B1 F2 108.88(14) . .
F4 B1 F2 108.52(14) . .
F1 B1 F2 109.25(14) . .
B1 F1 Na1 135.92(10) . .
B1 F2 Na1 163.26(10) . 1_565
O1 C1 C6 124.11(16) . .
O1 C1 C2 118.59(15) . .
C6 C1 C2 117.29(16) . .
O6 C2 C3 124.36(17) . .
O6 C2 C1 114.39(15) . .
C3 C2 C1 121.25(17) . .
C2 C3 C4 120.52(19) . .
C5 C4 C3 119.58(19) . .
C4 C5 C6 121.37(18) . .
C5 C6 C7 118.84(17) . .
C5 C6 C1 119.87(18) . .
C7 C6 C1 121.28(18) . .
N1 C7 C6 125.97(16) . .
N1 C8 C9 110.52(17) . .
C8 C9 N2 110.39(16) . .
N2 C10 C11 125.88(16) . .
C12 C11 C16 120.02(18) . .
C12 C11 C10 119.09(17) . .
C16 C11 C10 120.88(18) . .
C13 C12 C11 121.18(17) . .
C12 C13 C14 119.82(18) . .
C15 C14 C13 120.41(19) . .
O3 C15 C14 125.19(17) . .
O3 C15 C16 113.77(15) . .
C14 C15 C16 121.05(16) . .
O2 C16 C11 124.29(17) . .
O2 C16 C15 118.21(15) . .
C11 C16 C15 117.50(16) . .
O3 C17 C18 106.68(14) . .
O4 C18 C17 106.84(14) . .
O4 C19 C20 110.96(16) . .
O5 C20 C19 105.66(17) . .
C20B C19B O4 94.4(9) . .
C19B C20B O5 103.9(10) . .
O5 C21 C22 108.20(14) . .
O6 C22 C21 107.47(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N2 1.8555(15) .
Co1 O2 1.8558(12) .
Co1 O1 1.8559(12) .
Co1 N1 1.8602(16) .
Co1 Na1 3.6192(7) .
Na1 F1 2.3827(12) .
Na1 F2 2.4237(11) 1_545
Na1 O1 2.5608(13) .
Na1 O2 2.6027(13) .
Na1 O6 2.6322(14) .
Na1 O5 2.6547(14) .
Na1 O4 2.6633(15) .
Na1 O3 2.6748(14) .
O1 C1 1.316(2) .
O2 C16 1.314(2) .
O3 C15 1.366(2) .
O3 C17 1.431(2) .
O4 C19 1.422(2) .
O4 C18 1.426(2) .
O4 C19B 1.648(11) .
O5 C21 1.406(2) .
O5 C20 1.432(2) .
O5 C20B 1.543(12) .
O6 C2 1.368(2) .
O6 C22 1.435(2) .
N1 C7 1.288(3) .
N1 C8 1.474(2) .
N2 C10 1.285(3) .
N2 C9 1.485(2) .
B1 F3 1.382(2) .
B1 F4 1.387(2) .
B1 F1 1.401(2) .
B1 F2 1.410(2) .
F2 Na1 2.4237(11) 1_565
C1 C6 1.419(2) .
C1 C2 1.424(2) .
C2 C3 1.376(3) .
C3 C4 1.410(3) .
C4 C5 1.356(3) .
C5 C6 1.417(3) .
C6 C7 1.419(3) .
C8 C9 1.481(4) .
C10 C11 1.433(3) .
C11 C12 1.412(3) .
C11 C16 1.416(2) .
C12 C13 1.360(3) .
C13 C14 1.407(3) .
C14 C15 1.379(3) .
C15 C16 1.424(2) .
C17 C18 1.503(3) .
C19 C20 1.506(3) .
C19B C20B 1.43(2) .
C21 C22 1.487(3) .
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_4
O2 Co1 O1 C1 -173.52(14) .
N1 Co1 O1 C1 3.60(14) .
Na1 Co1 O1 C1 -166.15(16) .
O2 Co1 O1 Na1 -7.37(5) .
N1 Co1 O1 Na1 169.75(6) .
N2 Co1 O2 C16 6.22(14) .
O1 Co1 O2 C16 -172.49(14) .
Na1 Co1 O2 C16 -179.67(16) .
N2 Co1 O2 Na1 -174.11(6) .
O1 Co1 O2 Na1 7.18(5) .
N2 Co1 N1 C7 176.41(16) .
O1 Co1 N1 C7 -4.85(16) .
Na1 Co1 N1 C7 4.97(19) .
N2 Co1 N1 C8 -4.37(14) .
O1 Co1 N1 C8 174.36(14) .
Na1 Co1 N1 C8 -175.81(11) .
O2 Co1 N2 C10 -3.64(16) .
N1 Co1 N2 C10 179.22(16) .
Na1 Co1 N2 C10 -9.66(19) .
O2 Co1 N2 C9 174.56(13) .
N1 Co1 N2 C9 -2.57(13) .
Na1 Co1 N2 C9 168.55(10) .
F3 B1 F1 Na1 38.6(2) .
F4 B1 F1 Na1 -83.32(18) .
F2 B1 F1 Na1 157.56(10) .
F3 B1 F2 Na1 -73.2(4) 1_565
F4 B1 F2 Na1 47.5(4) 1_565
F1 B1 F2 Na1 167.7(3) 1_565
Co1 O1 C1 C6 -0.2(2) .
Na1 O1 C1 C6 -164.67(12) .
Co1 O1 C1 C2 178.55(11) .
Na1 O1 C1 C2 14.1(2) .
C22 O6 C2 C3 9.2(2) .
Na1 O6 C2 C3 159.46(14) .
C22 O6 C2 C1 -170.51(14) .
Na1 O6 C2 C1 -20.27(18) .
O1 C1 C2 O6 4.6(2) .
C6 C1 C2 O6 -176.55(14) .
O1 C1 C2 C3 -175.13(16) .
C6 C1 C2 C3 3.7(2) .
O6 C2 C3 C4 178.03(17) .
C1 C2 C3 C4 -2.3(3) .
C2 C3 C4 C5 -0.6(3) .
C3 C4 C5 C6 1.9(3) .
C4 C5 C6 C7 179.50(18) .
C4 C5 C6 C1 -0.3(3) .
O1 C1 C6 C5 176.34(16) .
C2 C1 C6 C5 -2.4(2) .
O1 C1 C6 C7 -3.5(3) .
C2 C1 C6 C7 177.76(16) .
C8 N1 C7 C6 -176.40(18) .
Co1 N1 C7 C6 2.8(3) .
C5 C6 C7 N1 -177.69(18) .
C1 C6 C7 N1 2.1(3) .
C7 N1 C8 C9 -170.63(17) .
Co1 N1 C8 C9 10.1(2) .
N1 C8 C9 N2 -11.4(2) .
C10 N2 C9 C8 -172.97(17) .
Co1 N2 C9 C8 8.6(2) .
C9 N2 C10 C11 -177.79(17) .
Co1 N2 C10 C11 0.4(3) .
N2 C10 C11 C12 -177.54(17) .
N2 C10 C11 C16 2.0(3) .
C16 C11 C12 C13 0.2(3) .
C10 C11 C12 C13 179.77(17) .
C11 C12 C13 C14 -0.7(3) .
C12 C13 C14 C15 0.0(3) .
C17 O3 C15 C14 -3.7(2) .
Na1 O3 C15 C14 -173.02(13) .
C17 O3 C15 C16 176.38(14) .
Na1 O3 C15 C16 7.02(19) .
C13 C14 C15 O3 -178.90(16) .
C13 C14 C15 C16 1.1(3) .
Co1 O2 C16 C11 -5.6(2) .
Na1 O2 C16 C11 174.75(12) .
Co1 O2 C16 C15 173.79(11) .
Na1 O2 C16 C15 -5.8(2) .
C12 C11 C16 O2 -179.73(16) .
C10 C11 C16 O2 0.7(3) .
C12 C11 C16 C15 0.8(2) .
C10 C11 C16 C15 -178.72(16) .
O3 C15 C16 O2 -1.0(2) .
C14 C15 C16 O2 179.06(16) .
O3 C15 C16 C11 178.50(14) .
C14 C15 C16 C11 -1.5(2) .
C15 O3 C17 C18 176.40(14) .
Na1 O3 C17 C18 -13.85(17) .
C19 O4 C18 C17 160.49(16) .
C19B O4 C18 C17 179.6(4) .
Na1 O4 C18 C17 -72.49(13) .
O3 C17 C18 O4 57.09(17) .
C18 O4 C19 C20 78.6(2) .
Na1 O4 C19 C20 -44.12(19) .
C21 O5 C20 C19 -175.21(16) .
Na1 O5 C20 C19 -52.03(19) .
O4 C19 C20 O5 64.1(2) .
C18 O4 C19B C20B 171.0(8) .
Na1 O4 C19B C20B 66.7(8) .
O4 C19B C20B O5 -80.3(9) .
C21 O5 C20B C19B -91.8(10) .
Na1 O5 C20B C19B 59.3(10) .
C20 O5 C21 C22 -172.94(15) .
C20B O5 C21 C22 -147.2(8) .
Na1 O5 C21 C22 61.46(15) .
C2 O6 C22 C21 -177.02(14) .
Na1 O6 C22 C21 32.33(16) .
O5 C21 C22 O6 -62.22(18) .
