#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:47:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179864 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/60/7016015.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_7016015
loop_
_publ_author_name
'Gan, Xin'
'Chi, Shao-Ming'
'Mu, Wei-Hua'
'Yao, Jia-Can'
'Quan, Li'
'Li, Cong'
'Bian, Zhao-Yong'
'Chen, Yong'
'Fu, Wen-Fu'
_publ_section_title
;
 Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane
 derivatives: Synthesis, structures, spectroscopy and geometric
 conversion.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7365
_journal_page_last               7374
_journal_paper_doi               10.1039/c0dt01747g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C28 H21 Cl3 N6'
_chemical_formula_weight         547.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.257(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.115(3)
_cell_length_b                   11.6709(15)
_cell_length_c                   16.466(2)
_cell_measurement_reflns_used    2476
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.517
_cell_measurement_theta_min      2.581
_cell_volume                     5216.7(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  '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  0.0460
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12833
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.381
_exptl_absorpt_correction_T_max  0.9276
_exptl_absorpt_correction_T_min  0.8381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4593
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1466
_refine_ls_R_factor_gt           0.0694
_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)+(0.0563P)²+21.5562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.2132
_reflns_number_gt                2233
_reflns_number_total             4593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01747g.txt
_cod_data_source_block           Ligand-L2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        5216.8(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7016015
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.0487(2) 0.7289(4) 0.2443(5) 0.0935(9) Uani 0.464(5) 1 d P A 1
Cl2 Cl 0.15041(16) 1.1713(7) 0.5207(4) 0.0935(9) Uani 0.366(5) 1 d P B 1
Cl3 Cl 0.5203(4) 0.8817(10) 0.3748(8) 0.0935(9) Uani 0.169(4) 1 d P C 1
Cl4 Cl 0.43548(11) 0.5981(3) 0.2336(2) 0.2029(15) Uani 1 1 d . . .
Cl5 Cl 0.37365(9) 0.5147(2) 0.30152(16) 0.1493(10) Uani 1 1 d . . .
N1 N 0.22390(13) 0.7646(3) 0.3622(2) 0.0477(9) Uani 1 1 d . A .
H1 H 0.2206 0.8235 0.3901 0.057 Uiso 1 1 calc R . .
N2 N 0.14056(14) 0.7393(4) 0.2992(3) 0.0605(11) Uani 1 1 d . A .
N3 N 0.26452(13) 0.9396(3) 0.4723(3) 0.0462(9) Uani 1 1 d . A .
N4 N 0.21534(14) 1.0581(3) 0.5030(3) 0.0522(10) Uani 1 1 d . B .
N5 N 0.38717(14) 0.8172(3) 0.4348(3) 0.0598(11) Uani 1 1 d . A .
N6 N 0.45843(17) 0.8450(4) 0.4287(4) 0.0854(15) Uani 1 1 d . C .
C1 C 0.18297(17) 0.7033(4) 0.3036(3) 0.0501(12) Uani 1 1 d . . .
C2 C 0.1008(2) 0.6796(6) 0.2432(4) 0.0746(16) Uani 1 1 d . . .
C3 C 0.0999(2) 0.5875(6) 0.1894(4) 0.0863(19) Uani 1 1 d . A .
H3 H 0.0705 0.5499 0.1507 0.104 Uiso 1 1 calc R . .
C4 C 0.1427(2) 0.5535(5) 0.1944(4) 0.0760(17) Uani 1 1 d . . .
H4 H 0.1431 0.4926 0.1584 0.091 Uiso 1 1 calc R A .
C5 C 0.18619(19) 0.6103(4) 0.2540(3) 0.0572(13) Uani 1 1 d . A .
C6 C 0.2336(2) 0.5805(4) 0.2683(3) 0.0600(13) Uani 1 1 d . . .
H6 H 0.2370 0.5191 0.2358 0.072 Uiso 1 1 calc R A .
C7 C 0.27345(18) 0.6396(4) 0.3279(3) 0.0540(12) Uani 1 1 d . A .
H7 H 0.3043 0.6180 0.3371 0.065 Uiso 1 1 calc R . .
C8 C 0.26950(16) 0.7358(4) 0.3781(3) 0.0450(11) Uani 1 1 d . . .
C9 C 0.26138(16) 1.0312(4) 0.5206(3) 0.0464(11) Uani 1 1 d . . .
C10 C 0.2113(2) 1.1444(4) 0.5510(4) 0.0641(14) Uani 1 1 d . . .
C11 C 0.2505(2) 1.2083(5) 0.6157(4) 0.0776(17) Uani 1 1 d . B .
H11 H 0.2454 1.2684 0.6472 0.093 Uiso 1 1 calc R . .
C12 C 0.2967(2) 1.1812(5) 0.6324(4) 0.0747(16) Uani 1 1 d . . .
H12 H 0.3237 1.2228 0.6757 0.090 Uiso 1 1 calc R B .
C13 C 0.30345(18) 1.0908(4) 0.5841(3) 0.0532(12) Uani 1 1 d . B .
C14 C 0.34941(19) 1.0539(4) 0.5960(4) 0.0655(15) Uani 1 1 d . . .
H14 H 0.3780 1.0926 0.6371 0.079 Uiso 1 1 calc R B .
C15 C 0.35214(17) 0.9637(4) 0.5486(4) 0.0603(13) Uani 1 1 d . A .
H15 H 0.3826 0.9411 0.5565 0.072 Uiso 1 1 calc R . .
C16 C 0.30883(15) 0.9014(4) 0.4857(3) 0.0448(11) Uani 1 1 d . . .
C17 C 0.43309(17) 0.7782(4) 0.4582(4) 0.0609(14) Uani 1 1 d . . .
C18 C 0.5029(2) 0.8116(6) 0.4474(5) 0.094(2) Uani 1 1 d . . .
C19 C 0.5247(2) 0.7117(6) 0.4988(5) 0.095(2) Uani 1 1 d . C .
H19 H 0.5564 0.6913 0.5118 0.114 Uiso 1 1 calc R . .
C20 C 0.5006(2) 0.6464(5) 0.5288(4) 0.0779(17) Uani 1 1 d . . .
H20 H 0.5152 0.5807 0.5633 0.094 Uiso 1 1 calc R C .
C21 C 0.45254(17) 0.6774(4) 0.5082(4) 0.0581(13) Uani 1 1 d . C .
C22 C 0.42357(19) 0.6150(4) 0.5350(4) 0.0649(14) Uani 1 1 d . . .
H22 H 0.4355 0.5476 0.5688 0.078 Uiso 1 1 calc R C .
C23 C 0.37768(18) 0.6530(4) 0.5116(3) 0.0581(13) Uani 1 1 d . A .
H23 H 0.3577 0.6113 0.5281 0.070 Uiso 1 1 calc R . .
C24 C 0.36084(16) 0.7567(4) 0.4618(3) 0.0483(11) Uani 1 1 d . . .
C25 C 0.31106(15) 0.8012(4) 0.4394(3) 0.0448(11) Uani 1 1 d . A .
C26 C 0.0521(7) 0.6869(16) 0.2379(16) 0.0935(9) Uani 0.536(5) 1 d P A 2
H26A H 0.0538 0.6529 0.2925 0.140 Uiso 0.536(5) 1 calc PR A 2
H26B H 0.0282 0.6468 0.1836 0.140 Uiso 0.536(5) 1 calc PR A 2
H26C H 0.0426 0.7658 0.2340 0.140 Uiso 0.536(5) 1 calc PR A 2
C27 C 0.1664(5) 1.1834(15) 0.5487(10) 0.0935(9) Uani 0.634(5) 1 d P B 2
H27A H 0.1390 1.1719 0.4875 0.140 Uiso 0.634(5) 1 calc PR B 2
H27B H 0.1693 1.2634 0.5641 0.140 Uiso 0.634(5) 1 calc PR B 2
H27C H 0.1613 1.1408 0.5931 0.140 Uiso 0.634(5) 1 calc PR B 2
C28 C 0.5351(3) 0.8940(8) 0.4274(8) 0.0935(9) Uani 0.831(4) 1 d P C 2
H28A H 0.5144 0.9463 0.3790 0.140 Uiso 0.831(4) 1 calc PR C 2
H28B H 0.5547 0.8509 0.4079 0.140 Uiso 0.831(4) 1 calc PR C 2
H28C H 0.5562 0.9361 0.4828 0.140 Uiso 0.831(4) 1 calc PR C 2
C29 C 0.3857(3) 0.5170(6) 0.2104(4) 0.104(2) Uani 1 1 d . . .
H29A H 0.3912 0.4393 0.1968 0.125 Uiso 1 1 calc R . .
H29B H 0.3572 0.5469 0.1556 0.125 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 '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
C8 N1 C1 122.3(4) . . ?
C8 N1 H1 118.8 . . ?
C1 N1 H1 118.8 . . ?
C2 N2 C1 115.4(5) . . ?
C16 N3 C9 121.2(4) . . ?
C10 N4 C9 116.7(4) . . ?
C24 N5 C17 117.8(4) . . ?
C18 N6 C17 118.2(5) . . ?
N2 C1 N1 115.1(4) . . ?
N2 C1 C5 124.0(4) . . ?
N1 C1 C5 120.9(4) . . ?
N2 C2 C3 125.0(6) . . ?
N2 C2 C26 126.4(10) . . ?
C3 C2 C26 107.9(9) . . ?
N2 C2 Cl1 112.3(5) . . ?
C3 C2 Cl1 122.6(5) . . ?
C26 C2 Cl1 16.5(8) . . ?
C4 C3 C2 118.5(5) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C3 C4 C5 119.4(6) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C1 117.5(5) . . ?
C4 C5 C6 125.0(5) . . ?
C1 C5 C6 117.5(4) . . ?
C7 C6 C5 120.7(5) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C6 C7 C8 121.2(5) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
N1 C8 C25 120.7(4) . . ?
N1 C8 C7 117.4(4) . . ?
C25 C8 C7 121.9(4) . . ?
N4 C9 N3 115.3(4) . . ?
N4 C9 C13 123.4(4) . . ?
N3 C9 C13 121.2(4) . . ?
N4 C10 C11 124.5(5) . . ?
N4 C10 C27 126.5(8) . . ?
C11 C10 C27 108.9(8) . . ?
N4 C10 Cl2 112.0(5) . . ?
C11 C10 Cl2 123.4(5) . . ?
C27 C10 Cl2 15.2(7) . . ?
C12 C11 C10 118.4(5) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
C11 C12 C13 119.8(5) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C9 117.1(5) . . ?
C12 C13 C14 125.0(5) . . ?
C9 C13 C14 117.8(4) . . ?
C15 C14 C13 120.5(5) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 121.0(5) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
N3 C16 C25 119.7(4) . . ?
N3 C16 C15 118.2(4) . . ?
C25 C16 C15 122.1(4) . . ?
N6 C17 N5 114.8(4) . . ?
N6 C17 C21 122.4(4) . . ?
N5 C17 C21 122.7(5) . . ?
N6 C18 C19 122.0(6) . . ?
N6 C18 C28 119.0(6) . . ?
C19 C18 C28 118.3(6) . . ?
N6 C18 Cl3 110.1(6) . . ?
C19 C18 Cl3 125.6(6) . . ?
C28 C18 Cl3 26.2(4) . . ?
C20 C19 C18 120.4(6) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 119.4(6) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C22 C21 C17 118.0(4) . . ?
C22 C21 C20 124.5(5) . . ?
C17 C21 C20 117.5(5) . . ?
C23 C22 C21 119.6(5) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 119.0(5) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
N5 C24 C23 122.8(4) . . ?
N5 C24 C25 118.1(4) . . ?
C23 C24 C25 119.0(4) . . ?
C8 C25 C16 124.2(4) . . ?
C8 C25 C24 117.6(4) . . ?
C16 C25 C24 118.0(4) . . ?
C2 C26 H26A 109.5 . . ?
C2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C10 C27 H27A 109.5 . . ?
C10 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C10 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C18 C28 H28A 109.5 . . ?
C18 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C18 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Cl4 C29 Cl5 112.2(4) . . ?
Cl4 C29 H29A 109.2 . . ?
Cl5 C29 H29A 109.2 . . ?
Cl4 C29 H29B 109.2 . . ?
Cl5 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
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
Cl1 C2 1.730(8) . ?
Cl2 C10 1.736(7) . ?
Cl3 C18 1.741(14) . ?
Cl4 C29 1.692(7) . ?
Cl5 C29 1.715(7) . ?
N1 C8 1.354(5) . ?
N1 C1 1.365(5) . ?
N1 H1 0.8600 . ?
N2 C2 1.323(6) . ?
N2 C1 1.352(6) . ?
N3 C16 1.360(5) . ?
N3 C9 1.365(5) . ?
N4 C10 1.323(6) . ?
N4 C9 1.353(5) . ?
N5 C24 1.312(5) . ?
N5 C17 1.363(5) . ?
N6 C18 1.319(7) . ?
N6 C17 1.356(6) . ?
C1 C5 1.391(6) . ?
C2 C3 1.384(8) . ?
C2 C26 1.478(17) . ?
C3 C4 1.354(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.419(7) . ?
C6 C7 1.337(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.434(6) . ?
C7 H7 0.9300 . ?
C8 C25 1.413(6) . ?
C9 C13 1.398(6) . ?
C10 C11 1.382(7) . ?
C10 C27 1.452(14) . ?
C11 C12 1.365(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.396(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.412(7) . ?
C14 C15 1.338(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.433(6) . ?
C15 H15 0.9300 . ?
C16 C25 1.416(6) . ?
C17 C21 1.394(7) . ?
C18 C19 1.406(9) . ?
C18 C28 1.536(10) . ?
C19 C20 1.323(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.408(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.388(7) . ?
C22 C23 1.359(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.411(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.499(6) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
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
C2 N2 C1 N1 -179.3(4) . . . . ?
C2 N2 C1 C5 0.0(7) . . . . ?
C8 N1 C1 N2 176.6(4) . . . . ?
C8 N1 C1 C5 -2.8(6) . . . . ?
C1 N2 C2 C3 -1.5(8) . . . . ?
C1 N2 C2 C26 168.4(11) . . . . ?
C1 N2 C2 Cl1 178.3(4) . . . . ?
N2 C2 C3 C4 1.0(9) . . . . ?
C26 C2 C3 C4 -170.4(10) . . . . ?
Cl1 C2 C3 C4 -178.7(5) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C3 C4 C5 C1 -2.3(8) . . . . ?
C3 C4 C5 C6 177.5(5) . . . . ?
N2 C1 C5 C4 1.8(7) . . . . ?
N1 C1 C5 C4 -178.9(4) . . . . ?
N2 C1 C5 C6 -177.9(4) . . . . ?
N1 C1 C5 C6 1.3(7) . . . . ?
C4 C5 C6 C7 -179.3(5) . . . . ?
C1 C5 C6 C7 0.5(7) . . . . ?
C5 C6 C7 C8 -1.0(7) . . . . ?
C1 N1 C8 C25 -179.9(4) . . . . ?
C1 N1 C8 C7 2.2(6) . . . . ?
C6 C7 C8 N1 -0.3(6) . . . . ?
C6 C7 C8 C25 -178.2(4) . . . . ?
C10 N4 C9 N3 178.0(4) . . . . ?
C10 N4 C9 C13 -1.4(6) . . . . ?
C16 N3 C9 N4 -178.0(4) . . . . ?
C16 N3 C9 C13 1.5(6) . . . . ?
C9 N4 C10 C11 1.0(7) . . . . ?
C9 N4 C10 C27 -175.5(9) . . . . ?
C9 N4 C10 Cl2 179.2(4) . . . . ?
N4 C10 C11 C12 -0.4(9) . . . . ?
C27 C10 C11 C12 176.6(8) . . . . ?
Cl2 C10 C11 C12 -178.4(5) . . . . ?
C10 C11 C12 C13 0.2(9) . . . . ?
C11 C12 C13 C9 -0.6(8) . . . . ?
C11 C12 C13 C14 -179.3(5) . . . . ?
N4 C9 C13 C12 1.3(7) . . . . ?
N3 C9 C13 C12 -178.1(4) . . . . ?
N4 C9 C13 C14 -180.0(4) . . . . ?
N3 C9 C13 C14 0.6(7) . . . . ?
C12 C13 C14 C15 177.7(5) . . . . ?
C9 C13 C14 C15 -0.9(7) . . . . ?
C13 C14 C15 C16 -0.9(8) . . . . ?
C9 N3 C16 C25 175.5(4) . . . . ?
C9 N3 C16 C15 -3.2(6) . . . . ?
C14 C15 C16 N3 3.0(7) . . . . ?
C14 C15 C16 C25 -175.7(5) . . . . ?
C18 N6 C17 N5 -178.9(6) . . . . ?
C18 N6 C17 C21 0.8(9) . . . . ?
C24 N5 C17 N6 -179.7(5) . . . . ?
C24 N5 C17 C21 0.6(8) . . . . ?
C17 N6 C18 C19 -1.8(10) . . . . ?
C17 N6 C18 C28 -171.2(7) . . . . ?
C17 N6 C18 Cl3 161.6(6) . . . . ?
N6 C18 C19 C20 1.2(11) . . . . ?
C28 C18 C19 C20 170.6(7) . . . . ?
Cl3 C18 C19 C20 -159.6(7) . . . . ?
C18 C19 C20 C21 0.5(10) . . . . ?
N6 C17 C21 C22 -179.8(5) . . . . ?
N5 C17 C21 C22 -0.1(8) . . . . ?
N6 C17 C21 C20 0.8(8) . . . . ?
N5 C17 C21 C20 -179.5(5) . . . . ?
C19 C20 C21 C22 179.2(6) . . . . ?
C19 C20 C21 C17 -1.4(8) . . . . ?
C17 C21 C22 C23 0.4(8) . . . . ?
C20 C21 C22 C23 179.8(5) . . . . ?
C21 C22 C23 C24 -1.2(8) . . . . ?
C17 N5 C24 C23 -1.4(7) . . . . ?
C17 N5 C24 C25 177.8(4) . . . . ?
C22 C23 C24 N5 1.7(8) . . . . ?
C22 C23 C24 C25 -177.5(5) . . . . ?
N1 C8 C25 C16 -2.3(7) . . . . ?
C7 C8 C25 C16 175.5(4) . . . . ?
N1 C8 C25 C24 173.2(4) . . . . ?
C7 C8 C25 C24 -8.9(6) . . . . ?
N3 C16 C25 C8 0.3(7) . . . . ?
C15 C16 C25 C8 178.9(4) . . . . ?
N3 C16 C25 C24 -175.3(4) . . . . ?
C15 C16 C25 C24 3.4(6) . . . . ?
N5 C24 C25 C8 115.3(5) . . . . ?
C23 C24 C25 C8 -65.4(6) . . . . ?
N5 C24 C25 C16 -68.8(6) . . . . ?
C23 C24 C25 C16 110.4(5) . . . . ?
