#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:20:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179447 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/44/4334497.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_4334497
loop_
_publ_author_name
'Bao Li'
'Li-Qin Chen'
'Jun Tao'
'Rong-Bin Huang'
'Lan-Sun Zheng'
_publ_contact_author_address
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
_publ_contact_author_email       taojun@xmu.edu.cn
_publ_contact_author_name        'Prof. Jun Tao'
_publ_contact_author_phone       86-592-2188138
_publ_section_title
;
 Unidirectional Charge Transfer in Di-cobalt Valence Tautomeric Compound
 Finely Tuned by Ancillary Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4136
_journal_page_last               4138
_journal_paper_doi               10.1021/ic4000268
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C44 H42 B4 Co2 F16 N8 O4'
_chemical_formula_weight         1211.96
_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
_cell_angle_alpha                81.82(3)
_cell_angle_beta                 88.16(3)
_cell_angle_gamma                78.27(3)
_cell_formula_units_Z            1
_cell_length_a                   8.6399(17)
_cell_length_b                   9.0423(18)
_cell_length_c                   15.923(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1205.6(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku Corporation,1998)'
_computing_data_reduction
'teXsan (Molecular Structure Corporation & Rigaku Corporation, 1999)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID imaging plate'
_diffrn_measurement_method       'omega scan'
_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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10146
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.320
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4687
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0729
_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)+(0.0972P)²+2.6721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1946
_refine_ls_wR_factor_ref         0.2021
_reflns_number_gt                3937
_reflns_number_total             4687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4000268_si_002_3.cif
_cod_data_source_block           4at173K
_cod_database_code               4334497
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
Co1 Co 1.37439(7) 0.41780(7) 1.29034(3) 0.0318(2) Uani 1 1 d .
O1 O 1.2801(4) 0.5094(4) 1.38551(19) 0.0364(7) Uani 1 1 d .
O2 O 1.5634(4) 0.3765(4) 1.35653(19) 0.0367(7) Uani 1 1 d .
N2 N 1.3124(5) 0.2281(4) 1.3381(2) 0.0371(8) Uani 1 1 d .
N1 N 1.4054(5) 0.6183(4) 1.2415(2) 0.0368(8) Uani 1 1 d .
N3 N 1.4854(5) 0.3285(4) 1.1966(2) 0.0375(8) Uani 1 1 d .
C21 C 1.5448(5) 0.4309(5) 1.4272(3) 0.0312(9) Uani 1 1 d U
C22 C 1.6642(5) 0.4221(5) 1.4843(3) 0.0347(9) Uani 1 1 d U
H22A H 1.7674 0.3732 1.4745 0.042 Uiso 1 1 calc R
C20 C 1.3769(5) 0.5107(5) 1.4434(3) 0.0321(9) Uani 1 1 d U
C5 C 1.2694(6) 0.7134(6) 1.2155(3) 0.0440(11) Uani 1 1 d U
C17 C 1.4247(8) 0.3622(6) 1.1178(3) 0.0492(12) Uani 1 1 d U
C11 C 1.1549(6) 0.2315(6) 1.3409(3) 0.0484(12) Uani 1 1 d U
C1 C 1.5426(7) 0.6646(6) 1.2321(3) 0.0477(12) Uani 1 1 d U
H1A H 1.6357 0.5973 1.2499 0.057 Uiso 1 1 calc R
C6 C 1.1256(7) 0.6458(6) 1.2297(4) 0.0517(13) Uani 1 1 d U
H6A H 1.0505 0.6880 1.1843 0.062 Uiso 1 1 calc R
H6B H 1.0756 0.6697 1.2829 0.062 Uiso 1 1 calc R
C7 C 1.4128(7) 0.0992(6) 1.3678(3) 0.0516(13) Uani 1 1 d U
H7A H 1.5206 0.0982 1.3674 0.062 Uiso 1 1 calc R
C12 C 1.0536(7) 0.3818(8) 1.3088(4) 0.0665(17) Uani 1 1 d U
H12A H 1.0224 0.4414 1.3548 0.080 Uiso 1 1 calc R
H12B H 0.9591 0.3677 1.2822 0.080 Uiso 1 1 calc R
C2 C 1.5474(9) 0.8131(7) 1.1959(4) 0.0645(15) Uani 1 1 d U
H2A H 1.6429 0.8462 1.1910 0.077 Uiso 1 1 calc R
C3 C 1.4101(9) 0.9102(7) 1.1675(4) 0.0677(16) Uani 1 1 d U
H3A H 1.4120 1.0091 1.1423 0.081 Uiso 1 1 calc R
C13 C 1.6297(7) 0.2365(7) 1.2090(4) 0.0524(13) Uani 1 1 d U
H13A H 1.6711 0.2132 1.2635 0.063 Uiso 1 1 calc R
C10 C 1.0977(9) 0.1025(8) 1.3713(5) 0.0728(17) Uani 1 1 d U
H10A H 0.9895 0.1050 1.3720 0.087 Uiso 1 1 calc R
N4 N 1.1733(6) 0.4761(6) 1.2321(4) 0.0707(17) Uani 1 1 d D
C8 C 1.3592(10) -0.0342(7) 1.3996(4) 0.0706(17) Uani 1 1 d U
H8A H 1.4301 -0.1234 1.4195 0.085 Uiso 1 1 calc R
C4 C 1.2701(8) 0.8605(6) 1.1766(4) 0.0566(14) Uani 1 1 d U
H4A H 1.1764 0.9248 1.1569 0.068 Uiso 1 1 calc R
C18 C 1.2713(8) 0.4629(8) 1.1037(4) 0.0683(17) Uani 1 1 d DU
H18A H 1.2396 0.4664 1.0455 0.082 Uiso 1 1 calc R
H18B H 1.2798 0.5652 1.1119 0.082 Uiso 1 1 calc R
C16 C 1.5104(11) 0.3008(8) 1.0511(4) 0.0719(17) Uani 1 1 d U
H16A H 1.4680 0.3233 0.9967 0.086 Uiso 1 1 calc R
C9 C 1.2013(11) -0.0297(8) 1.4006(5) 0.0801(19) Uani 1 1 d U
H9A H 1.1630 -0.1169 1.4214 0.096 Uiso 1 1 calc R
C14 C 1.7173(9) 0.1761(8) 1.1437(5) 0.0688(16) Uani 1 1 d U
H14A H 1.8169 0.1147 1.1540 0.083 Uiso 1 1 calc R
C15 C 1.6561(11) 0.2078(8) 1.0641(5) 0.082(2) Uani 1 1 d U
H15A H 1.7124 0.1668 1.0192 0.098 Uiso 1 1 calc R
C19 C 1.1486(11) 0.4134(10) 1.1613(5) 0.096(2) Uani 1 1 d DU
H19A H 1.0418 0.4581 1.1420 0.115 Uiso 1 1 d R
H19B H 1.1611 0.3038 1.1760 0.115 Uiso 1 1 d R
F8 F 0.6946(6) -0.2270(6) 1.4610(3) 0.1019(15) Uani 1 1 d .
F7 F 0.8090(7) -0.3117(7) 1.3465(4) 0.1177(19) Uani 1 1 d .
F4 F 1.8415(7) -0.3383(6) 1.0693(3) 0.1153(19) Uani 1 1 d .
F6 F 0.9568(6) -0.2595(7) 1.4455(4) 0.1123(18) Uani 1 1 d .
F3 F 1.9338(11) -0.1244(7) 1.0739(4) 0.167(3) Uani 1 1 d .
F5 F 0.7984(7) -0.0668(6) 1.3678(5) 0.136(3) Uani 1 1 d .
B1 B 1.8823(10) -0.2100(9) 1.0248(5) 0.0645(19) Uani 1 1 d .
F2 F 1.7638(12) -0.1345(8) 0.9826(6) 0.223(6) Uani 1 1 d .
B2 B 0.8167(9) -0.2141(9) 1.4050(5) 0.0643(18) Uani 1 1 d .
F1 F 1.9868(16) -0.2525(16) 0.9734(10) 0.328(10) Uani 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'
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
O1 Co1 O2 83.87(13) . .
O1 Co1 N3 175.47(15) . .
O2 Co1 N3 92.07(15) . .
O1 Co1 N4 89.8(2) . .
O2 Co1 N4 173.44(18) . .
N3 Co1 N4 94.2(2) . .
O1 Co1 N1 87.17(15) . .
O2 Co1 N1 93.01(16) . .
N3 Co1 N1 91.06(16) . .
N4 Co1 N1 84.8(2) . .
O1 Co1 N2 89.48(15) . .
O2 Co1 N2 93.67(16) . .
N3 Co1 N2 92.78(17) . .
N4 Co1 N2 88.1(2) . .
N1 Co1 N2 172.16(17) . .
C20 O1 Co1 114.2(3) . .
C21 O2 Co1 113.5(3) . .
C7 N2 C11 119.4(5) . .
C7 N2 Co1 124.9(4) . .
C11 N2 Co1 115.6(3) . .
C1 N1 C5 120.8(4) . .
C1 N1 Co1 126.6(4) . .
C5 N1 Co1 112.6(3) . .
C17 N3 C13 119.1(5) . .
C17 N3 Co1 120.9(4) . .
C13 N3 Co1 120.0(3) . .
O2 C21 C22 124.6(4) . .
O2 C21 C20 113.9(4) . .
C22 C21 C20 121.4(4) . .
C21 C22 C20 116.8(4) . 2_868
C21 C22 H22A 121.6 . .
C20 C22 H22A 121.6 2_868 .
O1 C20 C22 123.9(4) . 2_868
O1 C20 C21 114.3(4) . .
C22 C20 C21 121.8(4) 2_868 .
N1 C5 C4 120.5(5) . .
N1 C5 C6 114.8(4) . .
C4 C5 C6 124.7(5) . .
N3 C17 C16 119.5(6) . .
N3 C17 C18 119.4(5) . .
C16 C17 C18 121.1(6) . .
N2 C11 C10 120.6(6) . .
N2 C11 C12 115.1(5) . .
C10 C11 C12 124.3(6) . .
N1 C1 C2 120.5(6) . .
N1 C1 H1A 119.8 . .
C2 C1 H1A 119.8 . .
C5 C6 N4 108.7(4) . .
C5 C6 H6A 109.9 . .
N4 C6 H6A 109.9 . .
C5 C6 H6B 109.9 . .
N4 C6 H6B 109.9 . .
H6A C6 H6B 108.3 . .
N2 C7 C8 121.6(6) . .
N2 C7 H7A 119.2 . .
C8 C7 H7A 119.2 . .
C11 C12 N4 105.8(4) . .
C11 C12 H12A 110.6 . .
N4 C12 H12A 110.6 . .
C11 C12 H12B 110.6 . .
N4 C12 H12B 110.6 . .
H12A C12 H12B 108.7 . .
C3 C2 C1 119.3(6) . .
C3 C2 H2A 120.3 . .
C1 C2 H2A 120.3 . .
C4 C3 C2 119.6(6) . .
C4 C3 H3A 120.2 . .
C2 C3 H3A 120.2 . .
N3 C13 C14 122.4(6) . .
N3 C13 H13A 118.8 . .
C14 C13 H13A 118.8 . .
C9 C10 C11 119.6(7) . .
C9 C10 H10A 120.2 . .
C11 C10 H10A 120.2 . .
C19 N4 C6 118.6(6) . .
C19 N4 C12 100.4(6) . .
C6 N4 C12 109.9(5) . .
C19 N4 Co1 120.6(5) . .
C6 N4 Co1 105.6(3) . .
C12 N4 Co1 99.4(3) . .
C9 C8 C7 118.2(6) . .
C9 C8 H8A 120.9 . .
C7 C8 H8A 120.9 . .
C3 C4 C5 119.3(6) . .
C3 C4 H4A 120.3 . .
C5 C4 H4A 120.3 . .
C17 C18 C19 112.4(6) . .
C17 C18 H18A 109.1 . .
C19 C18 H18A 109.1 . .
C17 C18 H18B 109.1 . .
C19 C18 H18B 109.1 . .
H18A C18 H18B 107.8 . .
C15 C16 C17 121.1(6) . .
C15 C16 H16A 119.5 . .
C17 C16 H16A 119.5 . .
C8 C9 C10 120.5(6) . .
C8 C9 H9A 119.8 . .
C10 C9 H9A 119.8 . .
C15 C14 C13 119.0(7) . .
C15 C14 H14A 120.5 . .
C13 C14 H14A 120.5 . .
C14 C15 C16 119.0(6) . .
C14 C15 H15A 120.5 . .
C16 C15 H15A 120.5 . .
N4 C19 C18 100.9(7) . .
N4 C19 H19A 107.5 . .
C18 C19 H19A 113.4 . .
N4 C19 H19B 109.3 . .
C18 C19 H19B 114.7 . .
H19A C19 H19B 110.4 . .
F1 B1 F2 107.4(12) . .
F1 B1 F3 109.6(10) . .
F2 B1 F3 110.5(8) . .
F1 B1 F4 107.5(9) . .
F2 B1 F4 108.5(7) . .
F3 B1 F4 113.1(7) . .
F6 B2 F5 110.7(7) . .
F6 B2 F8 110.3(7) . .
F5 B2 F8 108.9(6) . .
F6 B2 F7 108.6(6) . .
F5 B2 F7 111.9(7) . .
F8 B2 F7 106.3(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.910(3) .
Co1 O2 1.916(3) .
Co1 N3 1.933(4) .
Co1 N4 1.936(5) .
Co1 N1 1.936(4) .
Co1 N2 1.945(4) .
O1 C20 1.267(5) .
O2 C21 1.284(5) .
N2 C7 1.339(6) .
N2 C11 1.354(7) .
N1 C1 1.332(7) .
N1 C5 1.345(6) .
N3 C17 1.346(6) .
N3 C13 1.354(7) .
C21 C22 1.379(6) .
C21 C20 1.514(6) .
C22 C20 1.381(6) 2_868
C22 H22A 0.9300 .
C20 C22 1.381(6) 2_868
C5 C4 1.386(7) .
C5 C6 1.490(8) .
C17 C16 1.391(8) .
C17 C18 1.451(9) .
C11 C10 1.378(8) .
C11 C12 1.491(8) .
C1 C2 1.392(8) .
C1 H1A 0.9300 .
C6 N4 1.501(7) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.401(9) .
C7 H7A 0.9300 .
C12 N4 1.808(10) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C2 C3 1.371(10) .
C2 H2A 0.9300 .
C3 C4 1.371(10) .
C3 H3A 0.9300 .
C13 C14 1.375(8) .
C13 H13A 0.9300 .
C10 C9 1.371(11) .
C10 H10A 0.9300 .
N4 C19 1.373(9) .
C8 C9 1.357(11) .
C8 H8A 0.9300 .
C4 H4A 0.9300 .
C18 C19 1.476(10) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C16 C15 1.368(11) .
C16 H16A 0.9300 .
C9 H9A 0.9300 .
C14 C15 1.359(11) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
F8 B2 1.373(9) .
F7 B2 1.383(9) .
F4 B1 1.373(10) .
F6 B2 1.350(9) .
F3 B1 1.320(9) .
F5 B2 1.358(9) .
B1 F1 1.239(11) .
B1 F2 1.263(10) .
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 C20 3.6(3) .
N3 Co1 O1 C20 -23(2) .
N4 Co1 O1 C20 -174.5(3) .
N1 Co1 O1 C20 -89.7(3) .
N2 Co1 O1 C20 97.4(3) .
O1 Co1 O2 C21 -2.9(3) .
N3 Co1 O2 C21 175.1(3) .
N4 Co1 O2 C21 13(2) .
N1 Co1 O2 C21 83.9(3) .
N2 Co1 O2 C21 -92.0(3) .
O1 Co1 N2 C7 -112.2(4) .
O2 Co1 N2 C7 -28.4(4) .
N3 Co1 N2 C7 63.9(4) .
N4 Co1 N2 C7 157.9(4) .
N1 Co1 N2 C7 -176.9(10) .
O1 Co1 N2 C11 67.2(4) .
O2 Co1 N2 C11 151.0(4) .
N3 Co1 N2 C11 -116.7(4) .
N4 Co1 N2 C11 -22.6(4) .
N1 Co1 N2 C11 2.6(13) .
O1 Co1 N1 C1 108.7(4) .
O2 Co1 N1 C1 25.0(4) .
N3 Co1 N1 C1 -67.1(4) .
N4 Co1 N1 C1 -161.2(4) .
N2 Co1 N1 C1 173.5(10) .
O1 Co1 N1 C5 -71.8(3) .
O2 Co1 N1 C5 -155.5(3) .
N3 Co1 N1 C5 112.4(3) .
N4 Co1 N1 C5 18.3(4) .
N2 Co1 N1 C5 -7.0(13) .
O1 Co1 N3 C17 -133.7(18) .
O2 Co1 N3 C17 -159.8(4) .
N4 Co1 N3 C17 18.1(4) .
N1 Co1 N3 C17 -66.8(4) .
N2 Co1 N3 C17 106.4(4) .
O1 Co1 N3 C13 43(2) .
O2 Co1 N3 C13 16.9(4) .
N4 Co1 N3 C13 -165.1(4) .
N1 Co1 N3 C13 110.0(4) .
N2 Co1 N3 C13 -76.9(4) .
Co1 O2 C21 C22 -177.1(4) .
Co1 O2 C21 C20 1.8(4) .
O2 C21 C22 C20 178.9(4) 2_868
C20 C21 C22 C20 0.1(7) 2_868
Co1 O1 C20 C22 176.6(3) 2_868
Co1 O1 C20 C21 -3.5(5) .
O2 C21 C20 O1 1.2(5) .
C22 C21 C20 O1 -179.9(4) .
O2 C21 C20 C22 -179.0(4) 2_868
C22 C21 C20 C22 -0.1(7) 2_868
C1 N1 C5 C4 1.5(7) .
Co1 N1 C5 C4 -178.1(4) .
C1 N1 C5 C6 179.8(5) .
Co1 N1 C5 C6 0.2(5) .
C13 N3 C17 C16 0.7(7) .
Co1 N3 C17 C16 177.5(4) .
C13 N3 C17 C18 -178.9(5) .
Co1 N3 C17 C18 -2.1(7) .
C7 N2 C11 C10 -2.3(8) .
Co1 N2 C11 C10 178.2(5) .
C7 N2 C11 C12 178.1(5) .
Co1 N2 C11 C12 -1.3(6) .
C5 N1 C1 C2 0.7(8) .
Co1 N1 C1 C2 -179.8(4) .
N1 C5 C6 N4 -25.7(6) .
C4 C5 C6 N4 152.6(5) .
C11 N2 C7 C8 2.0(8) .
Co1 N2 C7 C8 -178.6(4) .
N2 C11 C12 N4 27.5(6) .
C10 C11 C12 N4 -152.1(6) .
N1 C1 C2 C3 -2.0(9) .
C1 C2 C3 C4 1.2(10) .
C17 N3 C13 C14 0.2(8) .
Co1 N3 C13 C14 -176.6(5) .
N2 C11 C10 C9 1.4(10) .
C12 C11 C10 C9 -179.0(6) .
C5 C6 N4 C19 -101.3(7) .
C5 C6 N4 C12 144.1(4) .
C5 C6 N4 Co1 37.7(6) .
C11 C12 N4 C19 83.9(6) .
C11 C12 N4 C6 -150.4(5) .
C11 C12 N4 Co1 -39.8(5) .
O1 Co1 N4 C19 -165.6(6) .
O2 Co1 N4 C19 178.2(16) .
N3 Co1 N4 C19 16.5(7) .
N1 Co1 N4 C19 107.2(6) .
N2 Co1 N4 C19 -76.2(6) .
O1 Co1 N4 C6 56.3(4) .
O2 Co1 N4 C6 40(2) .
N3 Co1 N4 C6 -121.5(4) .
N1 Co1 N4 C6 -30.8(4) .
N2 Co1 N4 C6 145.8(4) .
O1 Co1 N4 C12 -57.6(3) .
O2 Co1 N4 C12 -73.7(19) .
N3 Co1 N4 C12 124.6(3) .
N1 Co1 N4 C12 -144.7(3) .
N2 Co1 N4 C12 31.9(3) .
N2 C7 C8 C9 -0.8(10) .
C2 C3 C4 C5 0.9(9) .
N1 C5 C4 C3 -2.2(8) .
C6 C5 C4 C3 179.6(6) .
N3 C17 C18 C19 -52.5(8) .
C16 C17 C18 C19 128.0(6) .
N3 C17 C16 C15 -0.6(9) .
C18 C17 C16 C15 179.0(6) .
C7 C8 C9 C10 -0.1(11) .
C11 C10 C9 C8 -0.2(12) .
N3 C13 C14 C15 -1.1(10) .
C13 C14 C15 C16 1.1(10) .
C17 C16 C15 C14 -0.3(11) .
C6 N4 C19 C18 72.1(8) .
C12 N4 C19 C18 -168.3(5) .
Co1 N4 C19 C18 -60.7(7) .
C17 C18 C19 N4 83.7(7) .
