#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:36:47 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/80/7048095.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_7048095
loop_
_publ_author_name
'Srinivasan, Anandi'
'Wang, Xiaoping'
'Clérac, Rodolphe'
'Rouzières, Mathieu'
'Falvello, Larry R.'
'McGrady, John E.'
'Hillard, Elizabeth A.'
_publ_section_title
;
 Temperature dependence of the spin state and geometry in tricobalt
 paddlewheel complexes with halide axial ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16798
_journal_page_last               16806
_journal_paper_doi               10.1039/c8dt03833c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C40 H32 Co3 F2 N12, 2(C H2 Cl2)'
_chemical_formula_sum            'C42 H36 Cl4 Co3 F2 N12'
_chemical_formula_weight         1065.42
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-09-03 deposited with the CCDC.
2018-11-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.721(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.362(5)
_cell_length_b                   13.838(3)
_cell_length_c                   17.100(7)
_cell_measurement_reflns_used    9883
_cell_measurement_temperature    85(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.28
_cell_volume                     4225(2)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'WinGX (Farrugia, 2012)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      85(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_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  0.0277
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39436
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.379
_diffrn_reflns_theta_min         1.955
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.476
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            'dark reddish-brown'
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2156
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane'
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         4321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0248
_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)+(0.0287P)²+8.1978P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0649
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3871
_reflns_number_total             4321
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03833c2.cif
_cod_data_source_block           1-2CH2CL2-85K
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

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

 Adding full bibliography for 7048090--7048108.cif.
;
_cod_database_code               7048095
_shelx_shelxl_version_number     2016/6
_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   0.855
_shelx_estimated_absorpt_t_max   0.866
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C1 C 0.64025(9) 0.94604(12) 0.27269(11) 0.0136(3) Uani 1 1 d . . .
H1 H 0.621365 1.004339 0.283617 0.016 Uiso 1 1 calc R U .
C1S C 0.40937(11) 0.20584(13) 0.16662(13) 0.0209(4) Uani 1 1 d . . .
H1SA H 0.435688 0.262891 0.203254 0.025 Uiso 1 1 calc R U .
H1SB H 0.436237 0.147207 0.199694 0.025 Uiso 1 1 calc R U .
C2 C 0.71025(10) 0.94745(13) 0.27865(12) 0.0163(4) Uani 1 1 d . . .
H2 H 0.737916 1.005869 0.290395 0.020 Uiso 1 1 calc R U .
C3 C 0.73917(9) 0.86078(13) 0.26696(12) 0.0165(4) Uani 1 1 d . . .
H3 H 0.787993 0.858800 0.272879 0.020 Uiso 1 1 calc R U .
C4 C 0.69672(9) 0.77811(13) 0.24682(11) 0.0143(3) Uani 1 1 d . . .
H4 H 0.716819 0.718436 0.240605 0.017 Uiso 1 1 calc R U .
C5 C 0.62295(9) 0.78162(11) 0.23529(11) 0.0104(3) Uani 1 1 d . . .
C6 C 0.57929(9) 0.62694(12) 0.16548(11) 0.0114(3) Uani 1 1 d . . .
C7 C 0.61120(9) 0.62835(13) 0.10771(11) 0.0154(4) Uani 1 1 d . . .
H7 H 0.632414 0.686401 0.100132 0.019 Uiso 1 1 calc R U .
C8 C 0.61161(10) 0.54623(14) 0.06265(12) 0.0183(4) Uani 1 1 d . . .
H8 H 0.633820 0.546945 0.024882 0.022 Uiso 1 1 calc R U .
C9 C 0.57912(10) 0.46202(13) 0.07296(12) 0.0186(4) Uani 1 1 d . . .
H9 H 0.579856 0.404028 0.043656 0.022 Uiso 1 1 calc R U .
C10 C 0.54587(9) 0.46470(12) 0.12664(11) 0.0151(3) Uani 1 1 d . . .
H10 H 0.522043 0.407927 0.131894 0.018 Uiso 1 1 calc R U .
C11 C 0.44966(9) 0.94519(12) 0.07237(11) 0.0125(3) Uani 1 1 d . . .
H11 H 0.474188 1.001682 0.104869 0.015 Uiso 1 1 calc R U .
C12 C 0.58416(9) 0.94852(13) 0.51969(12) 0.0155(4) Uani 1 1 d . . .
H12 H 0.584070 1.006163 0.549817 0.019 Uiso 1 1 calc R U .
C13 C 0.61840(10) 0.86462(13) 0.56694(12) 0.0159(4) Uani 1 1 d . . .
H13 H 0.641502 0.864013 0.630199 0.019 Uiso 1 1 calc R U .
C14 C 0.61851(10) 0.78281(12) 0.52140(11) 0.0134(3) Uani 1 1 d . . .
H14 H 0.641687 0.725552 0.553471 0.016 Uiso 1 1 calc R U .
C15 C 0.58422(9) 0.78309(11) 0.42662(11) 0.0104(3) Uani 1 1 d . . .
C16 C 0.62664(9) 0.62834(11) 0.40198(11) 0.0103(3) Uani 1 1 d . . .
C17 C 0.70122(9) 0.62996(12) 0.47288(11) 0.0126(3) Uani 1 1 d . . .
H17 H 0.719426 0.685683 0.509603 0.015 Uiso 1 1 calc R U .
C18 C 0.74739(9) 0.55169(13) 0.48896(11) 0.0145(3) Uani 1 1 d . . .
H18 H 0.797400 0.553357 0.536493 0.017 Uiso 1 1 calc R U .
C19 C 0.72063(9) 0.46960(13) 0.43523(12) 0.0150(3) Uani 1 1 d . . .
H19 H 0.751798 0.414859 0.444988 0.018 Uiso 1 1 calc R U .
C20 C 0.64749(9) 0.47061(12) 0.36755(11) 0.0129(3) Uani 1 1 d . . .
H20 H 0.628955 0.415264 0.330380 0.016 Uiso 1 1 calc R U .
Cl1 Cl 0.31589(3) 0.20327(4) 0.14907(4) 0.03435(14) Uani 1 1 d . . .
Cl2 Cl 0.41071(4) 0.21114(4) 0.06405(5) 0.04670(17) Uani 1 1 d . . .
Co1 Co 0.500000 0.87337(2) 0.250000 0.00794(8) Uani 1 2 d S T P
Co2 Co 0.500000 0.70524(2) 0.250000 0.00786(8) Uani 1 2 d S T P
Co3 Co 0.500000 0.53790(2) 0.250000 0.00886(8) Uani 1 2 d S T P
F1 F 0.500000 1.01869(9) 0.250000 0.0135(3) Uani 1 2 d S T P
F2 F 0.500000 0.39298(10) 0.250000 0.0165(3) Uani 1 2 d S T P
N1 N 0.59721(8) 0.86596(10) 0.25210(9) 0.0105(3) Uani 1 1 d . . .
N2 N 0.44973(7) 0.86570(10) 0.11879(9) 0.0103(3) Uani 1 1 d . . .
N3 N 0.57508(8) 0.70465(9) 0.21261(9) 0.0104(3) Uani 1 1 d . . .
N4 N 0.57769(8) 0.70484(9) 0.37365(9) 0.0101(3) Uani 1 1 d . . .
N5 N 0.54561(7) 0.54468(10) 0.17228(9) 0.0113(3) Uani 1 1 d . . .
N6 N 0.60079(8) 0.54653(10) 0.35144(9) 0.0102(3) 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'
Cl Cl 0.1484 0.1585 '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'
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 C1 C2 123.30(16) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
Cl2 C1S Cl1 111.02(11) . .
Cl2 C1S H1SA 109.4 . .
Cl1 C1S H1SA 109.4 . .
Cl2 C1S H1SB 109.4 . .
Cl1 C1S H1SB 109.4 . .
H1SA C1S H1SB 108.0 . .
C1 C2 C3 118.07(16) . .
C1 C2 H2 121.0 . .
C3 C2 H2 121.0 . .
C4 C3 C2 119.63(16) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 120.19(16) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N1 C5 N3 115.59(14) . .
N1 C5 C4 119.20(15) . .
N3 C5 C4 125.11(15) . .
N5 C6 N3 115.41(14) . .
N5 C6 C7 119.23(15) . .
N3 C6 C7 125.24(15) . .
C8 C7 C6 120.43(16) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C7 C8 C9 119.31(16) . .
C7 C8 H8 120.3 . .
C9 C8 H8 120.3 . .
C10 C9 C8 118.50(16) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
N5 C10 C9 122.98(17) . .
N5 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
N2 C11 C12 123.58(16) . 2_655
N2 C11 H11 118.2 . .
C12 C11 H11 118.2 2_655 .
C11 C12 C13 117.93(16) 2_655 .
C11 C12 H12 121.0 2_655 .
C13 C12 H12 121.0 . .
C14 C13 C12 119.59(16) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C13 C14 C15 120.61(16) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
N2 C15 N4 114.91(14) 2_655 .
N2 C15 C14 119.08(14) 2_655 .
N4 C15 C14 125.90(15) . .
N6 C16 N4 114.95(14) . .
N6 C16 C17 118.88(14) . .
N4 C16 C17 125.99(15) . .
C18 C17 C16 120.55(16) . .
C18 C17 H17 119.7 . .
C16 C17 H17 119.7 . .
C17 C18 C19 119.79(16) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C20 C19 C18 117.81(16) . .
C20 C19 H19 121.1 . .
C18 C19 H19 121.1 . .
N6 C20 C19 123.27(16) . .
N6 C20 H20 118.4 . .
C19 C20 H20 118.4 . .
N1 Co1 N1 174.02(8) 2_655 .
N1 Co1 N2 89.17(6) 2_655 2_655
N1 Co1 N2 90.50(6) . 2_655
N1 Co1 N2 90.51(6) 2_655 .
N1 Co1 N2 89.17(6) . .
N2 Co1 N2 173.82(8) 2_655 .
N1 Co1 F1 92.99(4) 2_655 .
N1 Co1 F1 92.99(4) . .
N2 Co1 F1 93.09(4) 2_655 .
N2 Co1 F1 93.09(4) . .
N1 Co1 Co2 87.01(4) 2_655 .
N1 Co1 Co2 87.01(4) . .
N2 Co1 Co2 86.91(4) 2_655 .
N2 Co1 Co2 86.91(4) . .
F1 Co1 Co2 180.0 . .
N3 Co2 N3 179.51(8) 2_655 .
N3 Co2 N4 90.01(6) 2_655 2_655
N3 Co2 N4 89.99(6) . 2_655
N3 Co2 N4 89.99(6) 2_655 .
N3 Co2 N4 90.01(6) . .
N4 Co2 N4 179.67(8) 2_655 .
N3 Co2 Co3 89.75(4) 2_655 .
N3 Co2 Co3 89.75(4) . .
N4 Co2 Co3 89.83(4) 2_655 .
N4 Co2 Co3 89.83(4) . .
N3 Co2 Co1 90.25(4) 2_655 .
N3 Co2 Co1 90.25(4) . .
N4 Co2 Co1 90.17(4) 2_655 .
N4 Co2 Co1 90.17(4) . .
Co3 Co2 Co1 180.0 . .
N6 Co3 N6 172.99(8) 2_655 .
N6 Co3 N5 87.77(6) 2_655 2_655
N6 Co3 N5 91.89(6) . 2_655
N6 Co3 N5 91.89(6) 2_655 .
N6 Co3 N5 87.77(6) . .
N5 Co3 N5 174.50(8) 2_655 .
N6 Co3 F2 93.51(4) 2_655 .
N6 Co3 F2 93.51(4) . .
N5 Co3 F2 92.75(4) 2_655 .
N5 Co3 F2 92.75(4) . .
N6 Co3 Co2 86.49(4) 2_655 .
N6 Co3 Co2 86.49(4) . .
N5 Co3 Co2 87.25(4) 2_655 .
N5 Co3 Co2 87.25(4) . .
F2 Co3 Co2 180.0 . .
C1 N1 C5 119.32(14) . .
C1 N1 Co1 118.93(11) . .
C5 N1 Co1 121.74(11) . .
C11 N2 C15 119.17(14) . 2_655
C11 N2 Co1 118.45(11) . .
C15 N2 Co1 122.37(11) 2_655 .
C5 N3 C6 122.69(14) . .
C5 N3 Co2 118.37(11) . .
C6 N3 Co2 118.94(11) . .
C16 N4 C15 123.38(14) . .
C16 N4 Co2 117.43(11) . .
C15 N4 Co2 119.04(11) . .
C10 N5 C6 119.45(15) . .
C10 N5 Co3 119.12(12) . .
C6 N5 Co3 121.40(11) . .
C20 N6 C16 119.65(14) . .
C20 N6 Co3 117.97(11) . .
C16 N6 Co3 122.23(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.350(2) .
C1 C2 1.379(2) .
C1 H1 0.9500 .
C1S Cl2 1.769(2) .
C1S Cl1 1.779(2) .
C1S H1SA 0.9900 .
C1S H1SB 0.9900 .
C2 C3 1.392(3) .
C2 H2 0.9500 .
C3 C4 1.374(2) .
C3 H3 0.9500 .
C4 C5 1.419(2) .
C4 H4 0.9500 .
C5 N1 1.365(2) .
C5 N3 1.368(2) .
C6 N5 1.362(2) .
C6 N3 1.371(2) .
C6 C7 1.420(2) .
C7 C8 1.375(3) .
C7 H7 0.9500 .
C8 C9 1.392(3) .
C8 H8 0.9500 .
C9 C10 1.378(3) .
C9 H9 0.9500 .
C10 N5 1.356(2) .
C10 H10 0.9500 .
C11 N2 1.356(2) .
C11 C12 1.383(2) 2_655
C11 H11 0.9500 .
C12 C13 1.395(3) .
C12 H12 0.9500 .
C13 C14 1.375(2) .
C13 H13 0.9500 .
C14 C15 1.424(2) .
C14 H14 0.9500 .
C15 N2 1.368(2) 2_655
C15 N4 1.377(2) .
C16 N6 1.367(2) .
C16 N4 1.373(2) .
C16 C17 1.417(2) .
C17 C18 1.373(2) .
C17 H17 0.9500 .
C18 C19 1.397(2) .
C18 H18 0.9500 .
C19 C20 1.379(2) .
C19 H19 0.9500 .
C20 N6 1.354(2) .
C20 H20 0.9500 .
Co1 N1 1.9649(14) 2_655
Co1 N1 1.9649(14) .
Co1 N2 1.9711(16) 2_655
Co1 N2 1.9712(16) .
Co1 F1 2.0109(14) .
Co1 Co2 2.3265(6) .
Co2 N3 1.9198(14) 2_655
Co2 N3 1.9198(14) .
Co2 N4 1.9387(15) 2_655
Co2 N4 1.9387(15) .
Co2 Co3 2.3156(6) .
Co3 N6 1.9527(14) 2_655
Co3 N6 1.9528(14) .
Co3 N5 1.9554(15) 2_655
Co3 N5 1.9554(15) .
Co3 F2 2.0054(14) .
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
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -3.2(3) . .
C1 C2 C3 C4 2.4(3) . .
C2 C3 C4 C5 1.9(3) . .
C3 C4 C5 N1 -5.7(2) . .
C3 C4 C5 N3 177.95(16) . .
N5 C6 C7 C8 -3.4(2) . .
N3 C6 C7 C8 -179.15(16) . .
C6 C7 C8 C9 1.2(3) . .
C7 C8 C9 C10 1.6(3) . .
C8 C9 C10 N5 -2.3(3) . .
C11 C12 C13 C14 1.0(2) 2_655 .
C12 C13 C14 C15 0.2(3) . .
C13 C14 C15 N2 -0.8(2) . 2_655
C13 C14 C15 N4 -176.75(16) . .
N6 C16 C17 C18 1.8(2) . .
N4 C16 C17 C18 -173.05(15) . .
C16 C17 C18 C19 -0.2(2) . .
C17 C18 C19 C20 -0.5(2) . .
C18 C19 C20 N6 -0.5(2) . .
C2 C1 N1 C5 -0.6(2) . .
C2 C1 N1 Co1 177.90(13) . .
N3 C5 N1 C1 -178.30(14) . .
C4 C5 N1 C1 5.0(2) . .
N3 C5 N1 Co1 3.20(19) . .
C4 C5 N1 Co1 -173.47(12) . .
C12 C11 N2 C15 1.0(2) 2_655 2_655
C12 C11 N2 Co1 -179.59(13) 2_655 .
N1 C5 N3 C6 157.19(15) . .
C4 C5 N3 C6 -26.4(2) . .
N1 C5 N3 Co2 -23.69(18) . .
C4 C5 N3 Co2 152.75(14) . .
N5 C6 N3 C5 159.88(15) . .
C7 C6 N3 C5 -24.2(2) . .
N5 C6 N3 Co2 -19.23(19) . .
C7 C6 N3 Co2 156.72(13) . .
N6 C16 N4 C15 162.36(14) . .
C17 C16 N4 C15 -22.6(2) . .
N6 C16 N4 Co2 -22.04(17) . .
C17 C16 N4 Co2 153.01(13) . .
N2 C15 N4 C16 156.78(14) 2_655 .
C14 C15 N4 C16 -27.1(2) . .
N2 C15 N4 Co2 -18.75(18) 2_655 .
C14 C15 N4 Co2 157.38(13) . .
C9 C10 N5 C6 0.2(2) . .
C9 C10 N5 Co3 -177.60(13) . .
N3 C6 N5 C10 178.85(14) . .
C7 C6 N5 C10 2.6(2) . .
N3 C6 N5 Co3 -3.43(19) . .
C7 C6 N5 Co3 -179.63(12) . .
C19 C20 N6 C16 2.1(2) . .
C19 C20 N6 Co3 177.73(13) . .
N4 C16 N6 C20 172.70(14) . .
C17 C16 N6 C20 -2.7(2) . .
N4 C16 N6 Co3 -2.70(18) . .
C17 C16 N6 Co3 -178.13(11) . .
