#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:45:39 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180354 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/23/7202325.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_7202325
loop_
_publ_author_name
'Du, Miao'
'Zhang, Zhi-Hui'
'Wang, Xiu-Guang'
'Tang, Liang-Fu'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Structural modulation of polythreading and interpenetrating
 coordination networks with an elongated dipyridyl building block and
 various anionic co-ligands
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1855
_journal_paper_doi               10.1039/b810121c
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C44 H44 Co N14 S2'
_chemical_formula_weight         891.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.758(2)
_cell_length_b                   24.387(2)
_cell_length_c                   8.2917(7)
_cell_measurement_reflns_used    2094
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.39
_cell_measurement_theta_min      2.34
_cell_volume                     5006.3(7)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            25637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    0.470
_exptl_absorpt_correction_T_max  0.8932
_exptl_absorpt_correction_T_min  0.8687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            PINK
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             1860
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.0711
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1436P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2150
_refine_ls_wR_factor_ref         0.2366
_reflns_number_gt                2383
_reflns_number_total             4405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810121c.txt
_cod_data_source_block           2.Co
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        5006.2(7)
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               7202325
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, 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 0.5000 0.73208(3) -0.2500 0.0531(3) Uani 1 2 d S . .
S1 S 0.63097(14) 0.72016(15) -0.6717(4) 0.231(2) Uani 1 1 d . . .
N1 N 0.54965(14) 0.67027(15) -0.1334(5) 0.0588(10) Uani 1 1 d . . .
N2 N 0.71570(14) 0.50924(15) 0.2237(4) 0.0503(9) Uani 1 1 d . . .
N3 N 0.68401(15) 0.46753(15) 0.1699(5) 0.0580(10) Uani 1 1 d . . .
N4 N 0.80709(15) 0.47659(15) 0.2184(4) 0.0506(9) Uani 1 1 d . . .
N5 N 0.83899(14) 0.51448(14) 0.1452(4) 0.0512(9) Uani 1 1 d . . .
N6 N 0.95233(15) 0.29629(15) -0.1361(5) 0.0568(10) Uani 1 1 d . . .
N7 N 0.55161(18) 0.73187(16) -0.4465(6) 0.0661(11) Uani 1 1 d . . .
C1 C 0.61620(17) 0.59077(18) 0.0140(6) 0.0541(12) Uani 1 1 d . . .
C2 C 0.55992(18) 0.59028(19) 0.0308(7) 0.0670(14) Uani 1 1 d . . .
H2 H 0.5433 0.5632 0.0923 0.080 Uiso 1 1 calc R . .
C3 C 0.52919(18) 0.6299(2) -0.0437(7) 0.0700(15) Uani 1 1 d . . .
H3 H 0.4919 0.6284 -0.0308 0.084 Uiso 1 1 calc R . .
C4 C 0.60326(18) 0.67109(19) -0.1447(6) 0.0643(13) Uani 1 1 d . . .
H4 H 0.6190 0.6995 -0.2028 0.077 Uiso 1 1 calc R . .
C5 C 0.63677(19) 0.63281(19) -0.0764(6) 0.0615(13) Uani 1 1 d . . .
H5 H 0.6739 0.6354 -0.0918 0.074 Uiso 1 1 calc R . .
C6 C 0.65071(18) 0.54964(18) 0.0913(5) 0.0534(12) Uani 1 1 d . . .
C7 C 0.69748(18) 0.55918(18) 0.1780(6) 0.0522(11) Uani 1 1 d . . .
C8 C 0.7252(2) 0.6103(2) 0.2295(7) 0.0760(16) Uani 1 1 d . . .
H8A H 0.7290 0.6104 0.3447 0.114 Uiso 1 1 calc R . .
H8B H 0.7042 0.6415 0.1966 0.114 Uiso 1 1 calc R . .
H8C H 0.7603 0.6121 0.1804 0.114 Uiso 1 1 calc R . .
C9 C 0.64423(18) 0.49205(19) 0.0909(6) 0.0560(12) Uani 1 1 d . . .
C10 C 0.6011(2) 0.4584(2) 0.0149(7) 0.0748(15) Uani 1 1 d . . .
H10A H 0.6148 0.4223 -0.0069 0.112 Uiso 1 1 calc R . .
H10B H 0.5899 0.4752 -0.0842 0.112 Uiso 1 1 calc R . .
H10C H 0.5708 0.4558 0.0868 0.112 Uiso 1 1 calc R . .
C11 C 0.76270(17) 0.4958(2) 0.3193(6) 0.0567(12) Uani 1 1 d . . .
H11A H 0.7533 0.4675 0.3967 0.068 Uiso 1 1 calc R . .
H11B H 0.7742 0.5280 0.3788 0.068 Uiso 1 1 calc R . .
C12 C 0.87461(18) 0.48535(18) 0.0613(5) 0.0509(11) Uani 1 1 d . . .
C13 C 0.91892(17) 0.5134(2) -0.0275(6) 0.0629(13) Uani 1 1 d . . .
H13A H 0.9058 0.5474 -0.0708 0.094 Uiso 1 1 calc R . .
H13B H 0.9312 0.4903 -0.1139 0.094 Uiso 1 1 calc R . .
H13C H 0.9483 0.5205 0.0449 0.094 Uiso 1 1 calc R . .
C14 C 0.86545(18) 0.42837(18) 0.0806(5) 0.0549(12) Uani 1 1 d . . .
C15 C 0.82191(18) 0.42486(18) 0.1835(6) 0.0537(11) Uani 1 1 d . . .
C16 C 0.7931(2) 0.3758(2) 0.2478(7) 0.0856(18) Uani 1 1 d . . .
H16A H 0.8006 0.3721 0.3609 0.128 Uiso 1 1 calc R . .
H16B H 0.8052 0.3437 0.1919 0.128 Uiso 1 1 calc R . .
H16C H 0.7549 0.3802 0.2322 0.128 Uiso 1 1 calc R . .
C17 C 0.89555(18) 0.38299(18) 0.0074(6) 0.0554(12) Uani 1 1 d . . .
C18 C 0.90252(19) 0.37976(18) -0.1566(6) 0.0613(13) Uani 1 1 d . . .
H18 H 0.8883 0.4069 -0.2231 0.074 Uiso 1 1 calc R . .
C19 C 0.9304(2) 0.33661(19) -0.2226(6) 0.0642(14) Uani 1 1 d . . .
H19 H 0.9341 0.3354 -0.3341 0.077 Uiso 1 1 calc R . .
C20 C 0.9450(2) 0.2991(2) 0.0225(7) 0.0683(14) Uani 1 1 d . . .
H20 H 0.9590 0.2710 0.0858 0.082 Uiso 1 1 calc R . .
C21 C 0.9179(2) 0.3411(2) 0.0987(6) 0.0699(15) Uani 1 1 d . . .
H21 H 0.9146 0.3413 0.2105 0.084 Uiso 1 1 calc R . .
C22 C 0.5849(3) 0.7277(2) -0.5363(7) 0.0773(17) 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
N7 Co1 N7 179.7(2) . 3_654 ?
N7 Co1 N1 89.84(15) . 3_654 ?
N7 Co1 N1 89.97(15) 3_654 3_654 ?
N7 Co1 N1 89.97(15) . . ?
N7 Co1 N1 89.84(16) 3_654 . ?
N1 Co1 N1 92.1(2) 3_654 . ?
N7 Co1 N6 90.48(16) . 8_765 ?
N7 Co1 N6 89.72(16) 3_654 8_765 ?
N1 Co1 N6 177.91(14) 3_654 8_765 ?
N1 Co1 N6 89.96(14) . 8_765 ?
N7 Co1 N6 89.72(16) . 6_565 ?
N7 Co1 N6 90.48(16) 3_654 6_565 ?
N1 Co1 N6 89.96(14) 3_654 6_565 ?
N1 Co1 N6 177.91(14) . 6_565 ?
N6 Co1 N6 87.98(19) 8_765 6_565 ?
C4 N1 C3 115.4(4) . . ?
C4 N1 Co1 121.5(3) . . ?
C3 N1 Co1 123.1(3) . . ?
C7 N2 N3 112.9(4) . . ?
C7 N2 C11 128.8(4) . . ?
N3 N2 C11 118.3(4) . . ?
C9 N3 N2 104.7(4) . . ?
C15 N4 N5 112.5(3) . . ?
C15 N4 C11 129.1(4) . . ?
N5 N4 C11 118.4(4) . . ?
C12 N5 N4 104.8(3) . . ?
C20 N6 C19 116.0(4) . . ?
C20 N6 Co1 122.7(3) . 6_655 ?
C19 N6 Co1 121.3(3) . 6_655 ?
C22 N7 Co1 169.0(4) . . ?
C5 C1 C2 115.5(4) . . ?
C5 C1 C6 122.4(4) . . ?
C2 C1 C6 122.1(4) . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
N1 C3 C2 124.0(4) . . ?
N1 C3 H3 118.0 . . ?
C2 C3 H3 118.0 . . ?
N1 C4 C5 124.3(5) . . ?
N1 C4 H4 117.8 . . ?
C5 C4 H4 117.8 . . ?
C1 C5 C4 120.7(4) . . ?
C1 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C7 C6 C9 105.3(4) . . ?
C7 C6 C1 126.9(4) . . ?
C9 C6 C1 127.8(4) . . ?
N2 C7 C6 105.9(4) . . ?
N2 C7 C8 121.4(4) . . ?
C6 C7 C8 132.6(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 C6 111.3(4) . . ?
N3 C9 C10 119.6(4) . . ?
C6 C9 C10 129.2(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 N4 111.4(4) . . ?
N2 C11 H11A 109.3 . . ?
N4 C11 H11A 109.3 . . ?
N2 C11 H11B 109.3 . . ?
N4 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
N5 C12 C14 111.0(4) . . ?
N5 C12 C13 120.2(4) . . ?
C14 C12 C13 128.6(4) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C12 104.8(4) . . ?
C15 C14 C17 127.4(4) . . ?
C12 C14 C17 127.8(4) . . ?
N4 C15 C14 106.8(4) . . ?
N4 C15 C16 123.0(4) . . ?
C14 C15 C16 130.2(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C21 116.6(4) . . ?
C18 C17 C14 121.1(4) . . ?
C21 C17 C14 122.2(5) . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
N6 C19 C18 123.8(5) . . ?
N6 C19 H19 118.1 . . ?
C18 C19 H19 118.1 . . ?
N6 C20 C21 124.0(5) . . ?
N6 C20 H20 118.0 . . ?
C21 C20 H20 118.0 . . ?
C20 C21 C17 119.4(5) . . ?
C20 C21 H21 120.3 . . ?
C17 C21 H21 120.3 . . ?
N7 C22 S1 177.2(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N7 2.070(5) . ?
Co1 N7 2.070(5) 3_654 ?
Co1 N1 2.172(4) 3_654 ?
Co1 N1 2.172(4) . ?
Co1 N6 2.176(4) 8_765 ?
Co1 N6 2.176(4) 6_565 ?
S1 C22 1.611(7) . ?
N1 C4 1.331(6) . ?
N1 C3 1.334(6) . ?
N2 C7 1.353(5) . ?
N2 N3 1.360(5) . ?
N2 C11 1.446(5) . ?
N3 C9 1.325(5) . ?
N4 C15 1.345(5) . ?
N4 N5 1.359(5) . ?
N4 C11 1.458(5) . ?
N5 C12 1.329(5) . ?
N6 C20 1.329(6) . ?
N6 C19 1.333(6) . ?
N6 Co1 2.176(4) 6_655 ?
N7 C22 1.116(6) . ?
C1 C5 1.369(6) . ?
C1 C2 1.400(6) . ?
C1 C6 1.465(6) . ?
C2 C3 1.376(6) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.371(6) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.383(6) . ?
C6 C9 1.414(6) . ?
C7 C8 1.486(7) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.487(6) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C14 1.417(6) . ?
C12 C13 1.488(6) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.378(6) . ?
C14 C17 1.465(6) . ?
C15 C16 1.490(7) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.373(7) . ?
C17 C21 1.387(6) . ?
C18 C19 1.372(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.378(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7 Co1 N1 C4 38.1(4) . . . . ?
N7 Co1 N1 C4 -142.1(4) 3_654 . . . ?
N1 Co1 N1 C4 128.0(4) 3_654 . . . ?
N6 Co1 N1 C4 -52.4(4) 8_765 . . . ?
N7 Co1 N1 C3 -143.3(4) . . . . ?
N7 Co1 N1 C3 36.5(4) 3_654 . . . ?
N1 Co1 N1 C3 -53.4(4) 3_654 . . . ?
N6 Co1 N1 C3 126.3(4) 8_765 . . . ?
C7 N2 N3 C9 -1.2(5) . . . . ?
C11 N2 N3 C9 178.6(4) . . . . ?
C15 N4 N5 C12 0.4(5) . . . . ?
C11 N4 N5 C12 -179.1(4) . . . . ?
N1 Co1 N7 C22 -109(3) 3_654 . . . ?
N1 Co1 N7 C22 -17(3) . . . . ?
N6 Co1 N7 C22 73(3) 8_765 . . . ?
N6 Co1 N7 C22 161(3) 6_565 . . . ?
C5 C1 C2 C3 1.1(7) . . . . ?
C6 C1 C2 C3 179.8(5) . . . . ?
C4 N1 C3 C2 -1.5(8) . . . . ?
Co1 N1 C3 C2 179.8(4) . . . . ?
C1 C2 C3 N1 -0.3(8) . . . . ?
C3 N1 C4 C5 2.5(8) . . . . ?
Co1 N1 C4 C5 -178.8(4) . . . . ?
C2 C1 C5 C4 -0.2(7) . . . . ?
C6 C1 C5 C4 -178.9(5) . . . . ?
N1 C4 C5 C1 -1.7(8) . . . . ?
C5 C1 C6 C7 45.4(7) . . . . ?
C2 C1 C6 C7 -133.2(5) . . . . ?
C5 C1 C6 C9 -133.2(5) . . . . ?
C2 C1 C6 C9 48.1(7) . . . . ?
N3 N2 C7 C6 0.9(5) . . . . ?
C11 N2 C7 C6 -178.8(4) . . . . ?
N3 N2 C7 C8 177.7(4) . . . . ?
C11 N2 C7 C8 -2.0(7) . . . . ?
C9 C6 C7 N2 -0.3(5) . . . . ?
C1 C6 C7 N2 -179.1(4) . . . . ?
C9 C6 C7 C8 -176.5(5) . . . . ?
C1 C6 C7 C8 4.6(9) . . . . ?
N2 N3 C9 C6 1.0(5) . . . . ?
N2 N3 C9 C10 -179.8(4) . . . . ?
C7 C6 C9 N3 -0.5(5) . . . . ?
C1 C6 C9 N3 178.4(4) . . . . ?
C7 C6 C9 C10 -179.6(5) . . . . ?
C1 C6 C9 C10 -0.7(9) . . . . ?
C7 N2 C11 N4 -102.0(5) . . . . ?
N3 N2 C11 N4 78.3(5) . . . . ?
C15 N4 C11 N2 -96.7(5) . . . . ?
N5 N4 C11 N2 82.6(5) . . . . ?
N4 N5 C12 C14 0.1(5) . . . . ?
N4 N5 C12 C13 -176.0(4) . . . . ?
N5 C12 C14 C15 -0.5(5) . . . . ?
C13 C12 C14 C15 175.2(4) . . . . ?
N5 C12 C14 C17 179.5(4) . . . . ?
C13 C12 C14 C17 -4.8(8) . . . . ?
N5 N4 C15 C14 -0.7(5) . . . . ?
C11 N4 C15 C14 178.7(4) . . . . ?
N5 N4 C15 C16 -179.5(4) . . . . ?
C11 N4 C15 C16 -0.2(8) . . . . ?
C12 C14 C15 N4 0.7(5) . . . . ?
C17 C14 C15 N4 -179.3(4) . . . . ?
C12 C14 C15 C16 179.4(5) . . . . ?
C17 C14 C15 C16 -0.6(9) . . . . ?
C15 C14 C17 C18 125.4(5) . . . . ?
C12 C14 C17 C18 -54.5(7) . . . . ?
C15 C14 C17 C21 -53.9(7) . . . . ?
C12 C14 C17 C21 126.1(5) . . . . ?
C21 C17 C18 C19 0.0(7) . . . . ?
C14 C17 C18 C19 -179.3(5) . . . . ?
C20 N6 C19 C18 1.3(7) . . . . ?
Co1 N6 C19 C18 -176.2(4) 6_655 . . . ?
C17 C18 C19 N6 -0.5(8) . . . . ?
C19 N6 C20 C21 -1.7(8) . . . . ?
Co1 N6 C20 C21 175.8(4) 6_655 . . . ?
N6 C20 C21 C17 1.3(8) . . . . ?
C18 C17 C21 C20 -0.4(7) . . . . ?
C14 C17 C21 C20 179.0(5) . . . . ?
