#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:36:47 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/80/7048090.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_7048090
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
_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                 118.457(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3854(6)
_cell_length_b                   13.8382(6)
_cell_length_c                   17.0652(7)
_cell_measurement_reflns_used    9199
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.27
_cell_volume                     4232.4(3)
_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      120(2)
_diffrn_measured_fraction_theta_full 1.000
_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  0.0350
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            63362
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.261
_diffrn_reflns_theta_min         1.957
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.473
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5413
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2003)'
_exptl_crystal_colour            'dark reddish brown'
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2156
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane'
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.123
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         4278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0340
_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)+(0.0460P)²+12.4206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.0968
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3603
_reflns_number_total             4278
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03833c2.cif
_cod_data_source_block           1-2CH2CL2-120K
_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               7048090
_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   0.788
_shelx_estimated_absorpt_t_max   0.943
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 0.64014(14) 0.94692(18) 0.27302(17) 0.0215(5) Uani 1 1 d . . .
H1 H 0.621194 1.005252 0.283817 0.026 Uiso 1 1 calc R U .
C1S C 0.40973(16) 0.20745(19) 0.1664(2) 0.0328(7) Uani 1 1 d . . .
H1SA H 0.435933 0.264852 0.202353 0.039 Uiso 1 1 calc R U .
H1SB H 0.436974 0.149144 0.199580 0.039 Uiso 1 1 calc R U .
C2 C 0.71005(14) 0.94840(19) 0.27927(18) 0.0267(6) Uani 1 1 d . . .
H2 H 0.737724 1.006768 0.291190 0.032 Uiso 1 1 calc R U .
C3 C 0.73886(14) 0.86159(19) 0.26754(18) 0.0256(6) Uani 1 1 d . . .
H3 H 0.787687 0.859436 0.273738 0.031 Uiso 1 1 calc R U .
C4 C 0.69642(14) 0.77923(19) 0.24701(17) 0.0232(5) Uani 1 1 d . . .
H4 H 0.716399 0.719591 0.240493 0.028 Uiso 1 1 calc R U .
C5 C 0.62283(14) 0.78280(16) 0.23548(16) 0.0178(5) Uani 1 1 d . . .
C6 C 0.57919(13) 0.62825(17) 0.16567(16) 0.0189(5) Uani 1 1 d . . .
C7 C 0.61085(14) 0.6296(2) 0.10778(17) 0.0247(6) Uani 1 1 d . . .
H7 H 0.631962 0.687671 0.099988 0.030 Uiso 1 1 calc R U .
C8 C 0.61125(14) 0.5481(2) 0.06303(17) 0.0297(6) Uani 1 1 d . . .
H8 H 0.633258 0.548953 0.024923 0.036 Uiso 1 1 calc R U .
C9 C 0.57934(15) 0.4639(2) 0.07350(18) 0.0304(6) Uani 1 1 d . . .
H9 H 0.580370 0.405924 0.044258 0.036 Uiso 1 1 calc R U .
C10 C 0.54621(14) 0.46638(19) 0.12722(17) 0.0246(6) Uani 1 1 d . . .
H10 H 0.522772 0.409463 0.132931 0.029 Uiso 1 1 calc R U .
C11 C 0.44964(13) 0.94650(18) 0.07298(17) 0.0205(5) Uani 1 1 d . . .
H11 H 0.473534 1.003243 0.105346 0.025 Uiso 1 1 calc R U .
C12 C 0.58384(14) 0.94954(19) 0.51873(17) 0.0247(6) Uani 1 1 d . . .
H12 H 0.584378 1.007294 0.549125 0.030 Uiso 1 1 calc R U .
C13 C 0.61677(15) 0.8654(2) 0.56523(18) 0.0264(6) Uani 1 1 d . . .
H13 H 0.639333 0.864541 0.628446 0.032 Uiso 1 1 calc R U .
C14 C 0.61668(14) 0.78352(18) 0.51974(17) 0.0220(5) Uani 1 1 d . . .
H14 H 0.639213 0.726029 0.551690 0.026 Uiso 1 1 calc R U .
C15 C 0.58331(13) 0.78419(16) 0.42573(16) 0.0173(5) Uani 1 1 d . . .
C16 C 0.62580(13) 0.62943(16) 0.40123(16) 0.0168(5) Uani 1 1 d . . .
C17 C 0.70012(14) 0.63115(18) 0.47210(17) 0.0208(5) Uani 1 1 d . . .
H17 H 0.718206 0.686756 0.508953 0.025 Uiso 1 1 calc R U .
C18 C 0.74593(13) 0.55295(19) 0.48764(17) 0.0234(5) Uani 1 1 d . . .
H18 H 0.795802 0.554774 0.534827 0.028 Uiso 1 1 calc R U .
C19 C 0.71968(14) 0.47107(18) 0.43463(17) 0.0232(5) Uani 1 1 d . . .
H19 H 0.750800 0.416374 0.444348 0.028 Uiso 1 1 calc R U .
C20 C 0.64686(13) 0.47208(17) 0.36743(17) 0.0201(5) Uani 1 1 d . . .
H20 H 0.628370 0.416460 0.330692 0.024 Uiso 1 1 calc R U .
Cl1 Cl 0.31712(5) 0.20441(6) 0.15079(8) 0.0579(3) Uani 1 1 d . . .
Cl2 Cl 0.40975(9) 0.21197(7) 0.06419(8) 0.0768(4) Uani 1 1 d . . .
Co1 Co 0.500000 0.87470(3) 0.250000 0.01340(12) Uani 1 2 d S T P
Co2 Co 0.500000 0.70663(3) 0.250000 0.01293(12) Uani 1 2 d S T P
Co3 Co 0.500000 0.53929(3) 0.250000 0.01475(12) Uani 1 2 d S T P
F1 F 0.500000 1.01985(13) 0.250000 0.0206(4) Uani 1 2 d S T P
F2 F 0.500000 0.39442(14) 0.250000 0.0253(5) Uani 1 2 d S T P
N1 N 0.59710(11) 0.86695(14) 0.25237(13) 0.0167(4) Uani 1 1 d . . .
N2 N 0.45024(11) 0.86683(14) 0.11932(13) 0.0165(4) Uani 1 1 d . . .
N3 N 0.57509(11) 0.70590(13) 0.21277(13) 0.0170(4) Uani 1 1 d . . .
N4 N 0.57701(11) 0.70613(13) 0.37306(13) 0.0165(4) Uani 1 1 d . . .
N5 N 0.54553(11) 0.54633(14) 0.17227(13) 0.0181(4) Uani 1 1 d . . .
N6 N 0.60033(11) 0.54778(13) 0.35092(13) 0.0161(4) 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 123.5(2) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
Cl2 C1S Cl1 110.92(17) . .
Cl2 C1S H1SA 109.5 . .
Cl1 C1S H1SA 109.5 . .
Cl2 C1S H1SB 109.5 . .
Cl1 C1S H1SB 109.5 . .
H1SA C1S H1SB 108.0 . .
C1 C2 C3 117.9(2) . .
C1 C2 H2 121.1 . .
C3 C2 H2 121.1 . .
C4 C3 C2 119.7(2) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 120.2(2) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N1 C5 N3 115.5(2) . .
N1 C5 C4 119.3(2) . .
N3 C5 C4 125.1(2) . .
N5 C6 N3 115.6(2) . .
N5 C6 C7 119.1(2) . .
N3 C6 C7 125.1(2) . .
C8 C7 C6 120.4(3) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C7 C8 C9 119.6(3) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 118.3(2) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
N5 C10 C9 122.8(3) . .
N5 C10 H10 118.6 . .
C9 C10 H10 118.6 . .
N2 C11 C12 123.4(2) . 2_655
N2 C11 H11 118.3 . .
C12 C11 H11 118.3 2_655 .
C11 C12 C13 117.8(2) 2_655 .
C11 C12 H12 121.1 2_655 .
C13 C12 H12 121.1 . .
C14 C13 C12 119.9(2) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.4(2) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
N2 C15 N4 115.2(2) 2_655 .
N2 C15 C14 119.1(2) 2_655 .
N4 C15 C14 125.7(2) . .
N6 C16 N4 115.1(2) . .
N6 C16 C17 118.8(2) . .
N4 C16 C17 125.9(2) . .
C18 C17 C16 120.3(2) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 120.2(2) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C20 C19 C18 117.5(2) . .
C20 C19 H19 121.2 . .
C18 C19 H19 121.2 . .
N6 C20 C19 123.6(2) . .
N6 C20 H20 118.2 . .
C19 C20 H20 118.2 . .
N1 Co1 N1 173.74(11) . 2_655
N1 Co1 N2 90.20(8) . 2_655
N1 Co1 N2 89.45(8) 2_655 2_655
N1 Co1 N2 89.45(8) . .
N1 Co1 N2 90.20(8) 2_655 .
N2 Co1 N2 173.65(11) 2_655 .
N1 Co1 F1 93.13(6) . .
N1 Co1 F1 93.13(6) 2_655 .
N2 Co1 F1 93.18(6) 2_655 .
N2 Co1 F1 93.18(6) . .
N1 Co1 Co2 86.87(6) . .
N1 Co1 Co2 86.87(6) 2_655 .
N2 Co1 Co2 86.82(6) 2_655 .
N2 Co1 Co2 86.82(6) . .
F1 Co1 Co2 180.0 . .
N3 Co2 N3 179.39(11) 2_655 .
N3 Co2 N4 90.19(8) 2_655 .
N3 Co2 N4 89.81(8) . .
N3 Co2 N4 89.81(8) 2_655 2_655
N3 Co2 N4 90.19(8) . 2_655
N4 Co2 N4 179.59(11) . 2_655
N3 Co2 Co3 89.69(6) 2_655 .
N3 Co2 Co3 89.70(6) . .
N4 Co2 Co3 89.79(5) . .
N4 Co2 Co3 89.79(5) 2_655 .
N3 Co2 Co1 90.31(6) 2_655 .
N3 Co2 Co1 90.30(6) . .
N4 Co2 Co1 90.21(5) . .
N4 Co2 Co1 90.21(5) 2_655 .
Co3 Co2 Co1 180.0 . .
N5 Co3 N5 174.28(12) . 2_655
N5 Co3 N6 92.01(8) . 2_655
N5 Co3 N6 87.64(8) 2_655 2_655
N5 Co3 N6 87.64(8) . .
N5 Co3 N6 92.01(8) 2_655 .
N6 Co3 N6 173.09(11) 2_655 .
N5 Co3 F2 92.86(6) . .
N5 Co3 F2 92.86(6) 2_655 .
N6 Co3 F2 93.45(6) 2_655 .
N6 Co3 F2 93.45(6) . .
N5 Co3 Co2 87.14(6) . .
N5 Co3 Co2 87.14(6) 2_655 .
N6 Co3 Co2 86.55(6) 2_655 .
N6 Co3 Co2 86.55(6) . .
F2 Co3 Co2 180.0 . .
C1 N1 C5 119.2(2) . .
C1 N1 Co1 118.93(16) . .
C5 N1 Co1 121.87(16) . .
C11 N2 C15 119.4(2) . 2_655
C11 N2 Co1 118.31(16) . .
C15 N2 Co1 122.32(16) 2_655 .
C5 N3 C6 122.9(2) . .
C5 N3 Co2 118.34(16) . .
C6 N3 Co2 118.74(16) . .
C15 N4 C16 123.5(2) . .
C15 N4 Co2 118.90(15) . .
C16 N4 Co2 117.42(15) . .
C10 N5 C6 119.6(2) . .
C10 N5 Co3 118.90(18) . .
C6 N5 Co3 121.42(16) . .
C20 N6 C16 119.5(2) . .
C20 N6 Co3 118.32(16) . .
C16 N6 Co3 122.03(16) . .
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(3) .
C1 C2 1.378(4) .
C1 H1 0.9500 .
C1S Cl2 1.746(3) .
C1S Cl1 1.777(3) .
C1S H1SA 0.9900 .
C1S H1SB 0.9900 .
C2 C3 1.393(4) .
C2 H2 0.9500 .
C3 C4 1.372(4) .
C3 H3 0.9500 .
C4 C5 1.418(3) .
C4 H4 0.9500 .
C5 N1 1.363(3) .
C5 N3 1.368(3) .
C6 N5 1.357(3) .
C6 N3 1.368(3) .
C6 C7 1.414(3) .
C7 C8 1.365(4) .
C7 H7 0.9500 .
C8 C9 1.386(4) .
C8 H8 0.9500 .
C9 C10 1.374(4) .
C9 H9 0.9500 .
C10 N5 1.351(3) .
C10 H10 0.9500 .
C11 N2 1.353(3) .
C11 C12 1.378(4) 2_655
C11 H11 0.9500 .
C12 C13 1.388(4) .
C12 H12 0.9500 .
C13 C14 1.373(4) .
C13 H13 0.9500 .
C14 C15 1.413(3) .
C14 H14 0.9500 .
C15 N2 1.366(3) 2_655
C15 N4 1.372(3) .
C16 N6 1.363(3) .
C16 N4 1.375(3) .
C16 C17 1.419(3) .
C17 C18 1.370(3) .
C17 H17 0.9500 .
C18 C19 1.388(4) .
C18 H18 0.9500 .
C19 C20 1.377(3) .
C19 H19 0.9500 .
C20 N6 1.350(3) .
C20 H20 0.9500 .
Co1 N1 1.963(2) .
Co1 N1 1.963(2) 2_655
Co1 N2 1.964(2) 2_655
Co1 N2 1.964(2) .
Co1 F1 2.0086(19) .
Co1 Co2 2.3257(6) .
Co2 N3 1.917(2) 2_655
Co2 N3 1.917(2) .
Co2 N4 1.932(2) .
Co2 N4 1.932(2) 2_655
Co2 Co3 2.3158(6) .
Co3 N5 1.950(2) .
Co3 N5 1.950(2) 2_655
Co3 N6 1.9509(19) 2_655
Co3 N6 1.9509(19) .
Co3 F2 2.005(2) .
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 -3.0(4) . .
C1 C2 C3 C4 2.5(4) . .
C2 C3 C4 C5 1.6(4) . .
C3 C4 C5 N1 -5.5(4) . .
C3 C4 C5 N3 178.2(2) . .
N5 C6 C7 C8 -3.7(4) . .
N3 C6 C7 C8 -179.2(2) . .
C6 C7 C8 C9 1.0(4) . .
C7 C8 C9 C10 1.8(4) . .
C8 C9 C10 N5 -2.2(4) . .
C11 C12 C13 C14 1.5(4) 2_655 .
C12 C13 C14 C15 0.0(4) . .
C13 C14 C15 N2 -1.4(4) . 2_655
C13 C14 C15 N4 -177.1(2) . .
N6 C16 C17 C18 2.0(3) . .
N4 C16 C17 C18 -172.9(2) . .
C16 C17 C18 C19 -0.6(4) . .
C17 C18 C19 C20 -0.3(4) . .
C18 C19 C20 N6 -0.1(4) . .
C2 C1 N1 C5 -0.9(4) . .
C2 C1 N1 Co1 177.9(2) . .
N3 C5 N1 C1 -178.3(2) . .
C4 C5 N1 C1 5.1(3) . .
N3 C5 N1 Co1 3.0(3) . .
C4 C5 N1 Co1 -173.63(17) . .
C12 C11 N2 C15 0.4(4) 2_655 2_655
C12 C11 N2 Co1 -179.67(19) 2_655 .
N1 C5 N3 C6 157.2(2) . .
C4 C5 N3 C6 -26.4(4) . .
N1 C5 N3 Co2 -23.6(3) . .
C4 C5 N3 Co2 152.8(2) . .
N5 C6 N3 C5 159.9(2) . .
C7 C6 N3 C5 -24.4(4) . .
N5 C6 N3 Co2 -19.3(3) . .
C7 C6 N3 Co2 156.4(2) . .
N2 C15 N4 C16 156.7(2) 2_655 .
C14 C15 N4 C16 -27.5(4) . .
N2 C15 N4 Co2 -18.8(3) 2_655 .
C14 C15 N4 Co2 157.0(2) . .
N6 C16 N4 C15 162.4(2) . .
C17 C16 N4 C15 -22.5(4) . .
N6 C16 N4 Co2 -22.0(3) . .
C17 C16 N4 Co2 153.1(2) . .
C9 C10 N5 C6 -0.5(4) . .
C9 C10 N5 Co3 -177.67(19) . .
N3 C6 N5 C10 179.3(2) . .
C7 C6 N5 C10 3.4(3) . .
N3 C6 N5 Co3 -3.6(3) . .
C7 C6 N5 Co3 -179.54(17) . .
C19 C20 N6 C16 1.5(4) . .
C19 C20 N6 Co3 177.58(19) . .
N4 C16 N6 C20 173.0(2) . .
C17 C16 N6 C20 -2.4(3) . .
N4 C16 N6 Co3 -2.9(3) . .
C17 C16 N6 Co3 -178.30(16) . .
