#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:32:23 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/97/7059723.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_7059723
loop_
_publ_author_name
'Jozefíková, Flóra'
'Perontsis, Spyros'
'Šimunková, Miriama'
'Barbieriková, Zuzana'
'Švorc, L’ubomír'
'Valko, Marian'
'Psomas, George'
'Moncol’, Ján'
_publ_section_title
;
 Novel copper(ii) complexes with fenamates and isonicotinamide: structure
 and properties, and interactions with DNA and serum albumin
;
_journal_issue                   29
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12827
_journal_page_last               12842
_journal_paper_doi               10.1039/D0NJ02007A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C40 H32 Cl4 Cu N6 O6'
_chemical_formula_sum            'C40 H32 Cl4 Cu N6 O6'
_chemical_formula_weight         898.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-03-16
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-07-29 deposited with the CCDC.	2020-06-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.924(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.1963(11)
_cell_length_b                   7.4203(5)
_cell_length_c                   17.8011(9)
_cell_measurement_reflns_used    23670
_cell_measurement_temperature    295
_cell_measurement_theta_max      71.56
_cell_measurement_theta_min      3.63
_cell_volume                     1970.9(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      295
_diffrn_detector                 'Pilatus3R 300K'
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS3R 300K'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23764
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         71.377
_diffrn_reflns_theta_min         3.511
_diffrn_source                   'Genix3D Cu HF'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    3.745
_exptl_absorpt_correction_T_max  0.548
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'STOE LANA, J. Koziskova, F. Hahn, J. Richter, J. Kozisek, Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.'
_exptl_crystal_colour            'light brown'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_description       block
_exptl_crystal_F_000             918
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         3786
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0875P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1214
_refine_ls_wR_factor_ref         0.1254
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2822
_reflns_number_total             3786
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj02007a2.cif
_cod_data_source_block           2
_cod_depositor_comments
;Adding full bibliography for 7059721--7059725.cif.

 Adding full bibliography for 7059721--7059725.cif.
;
_cod_database_code               7059723
_shelx_shelxl_version_number     2018/3
_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_max   0.779
_shelx_estimated_absorpt_t_min   0.493
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3), C1(H1), C2(H2), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12),
 C13(H13), C17(H17), C18(H18)
2.b X=CH2 refined with riding coordinates:
 N2(H2A,H2B)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.500000 0.500000 0.500000 0.03606(17) Uani 1 2 d S T P . .
Cl1 Cl 0.13979(8) 0.55008(13) 0.36980(6) 0.0876(3) Uani 1 1 d . . . . .
Cl2 Cl 0.20454(10) 1.07364(19) 0.58176(7) 0.1106(4) Uani 1 1 d . . . . .
O1 O 0.38756(10) 0.5558(2) 0.52742(10) 0.0417(4) Uani 1 1 d . . . . .
O2 O 0.44404(12) 0.3946(3) 0.62897(12) 0.0549(5) Uani 1 1 d . . . . .
O3 O 0.24118(12) -0.1428(3) 0.27191(11) 0.0509(5) Uani 1 1 d . . . . .
N1 N 0.44432(13) 0.2742(3) 0.44190(12) 0.0393(5) Uani 1 1 d . . . . .
N2 N 0.36132(15) -0.3232(3) 0.30517(14) 0.0537(6) Uani 1 1 d . . . . .
H2A H 0.335428 -0.411942 0.278746 0.064 Uiso 1 1 calc R . . . .
H2B H 0.415128 -0.334944 0.330485 0.064 Uiso 1 1 calc R . . . .
N3 N 0.23287(16) 0.7111(4) 0.51559(14) 0.0614(7) Uani 1 1 d . . . . .
H3 H 0.281658 0.697302 0.498402 0.074 Uiso 1 1 calc R . . . .
C1 C 0.35476(16) 0.2592(4) 0.42007(15) 0.0455(6) Uani 1 1 d . . . . .
H1 H 0.318806 0.349437 0.434431 0.055 Uiso 1 1 calc R . . . .
C2 C 0.31398(16) 0.1175(4) 0.37772(15) 0.0441(6) Uani 1 1 d . . . . .
H2 H 0.251861 0.113351 0.363745 0.053 Uiso 1 1 calc R . . . .
C3 C 0.36568(16) -0.0190(3) 0.35593(14) 0.0374(5) Uani 1 1 d . . . . .
C4 C 0.45806(17) -0.0058(4) 0.37930(16) 0.0457(6) Uani 1 1 d . . . . .
H4 H 0.495260 -0.095837 0.366683 0.055 Uiso 1 1 calc R . . . .
C5 C 0.49398(16) 0.1404(4) 0.42093(16) 0.0446(6) Uani 1 1 d . . . . .
H5 H 0.555981 0.147488 0.435456 0.053 Uiso 1 1 calc R . . . .
C6 C 0.31805(16) -0.1674(3) 0.30689(14) 0.0405(6) Uani 1 1 d . . . . .
C7 C 0.38190(15) 0.4852(3) 0.59261(15) 0.0392(5) Uani 1 1 d . . . . .
C8 C 0.29788(16) 0.5170(3) 0.62166(14) 0.0385(5) Uani 1 1 d . . . . .
C9 C 0.22685(16) 0.6238(4) 0.58252(15) 0.0441(6) Uani 1 1 d . . . . .
C10 C 0.14932(19) 0.6383(5) 0.61431(18) 0.0588(8) Uani 1 1 d . . . . .
H10 H 0.101881 0.708524 0.589566 0.071 Uiso 1 1 calc R . . . .
C11 C 0.1418(2) 0.5531(5) 0.6798(2) 0.0634(8) Uani 1 1 d . . . . .
H11 H 0.089036 0.564143 0.698692 0.076 Uiso 1 1 calc R . . . .
C12 C 0.2110(2) 0.4500(5) 0.71903(18) 0.0608(8) Uani 1 1 d . . . . .
H12 H 0.205991 0.393088 0.764580 0.073 Uiso 1 1 calc R . . . .
C13 C 0.28780(19) 0.4335(4) 0.68901(16) 0.0511(7) Uani 1 1 d . . . . .
H13 H 0.334638 0.363612 0.715016 0.061 Uiso 1 1 calc R . . . .
C14 C 0.16634(17) 0.8210(4) 0.47272(16) 0.0497(7) Uani 1 1 d . . . . .
C15 C 0.11910(18) 0.7647(4) 0.40156(17) 0.0522(7) Uani 1 1 d . . . . .
C16 C 0.0586(2) 0.8752(5) 0.35375(18) 0.0593(8) Uani 1 1 d . . . . .
C17 C 0.0442(2) 1.0425(5) 0.3811(2) 0.0687(10) Uani 1 1 d . . . . .
H17 H 0.003742 1.118466 0.350527 0.082 Uiso 1 1 calc R . . . .
C18 C 0.0859(3) 1.1037(5) 0.4508(2) 0.0700(9) Uani 1 1 d . . . . .
H18 H 0.073217 1.217543 0.467757 0.084 Uiso 1 1 calc R . . . .
C19 C 0.1485(2) 0.9917(5) 0.49657(19) 0.0626(8) Uani 1 1 d . . . . .
C20 C 0.0149(3) 0.8148(8) 0.2759(2) 0.1022(15) Uani 1 1 d . . . . .
H20A H 0.059803 0.773833 0.248513 0.153 Uiso 1 1 calc GR . . . .
H20B H -0.017497 0.913582 0.248812 0.153 Uiso 1 1 calc GR . . . .
H20C H -0.025844 0.718035 0.280055 0.153 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O1 Cu1 O1 180.0 . 3_666 ?
O1 Cu1 O2 126.41(7) 3_666 . ?
O1 Cu1 O2 53.59(7) 3_666 3_666 ?
O1 Cu1 O2 53.59(7) . . ?
O1 Cu1 O2 126.41(7) . 3_666 ?
O1 Cu1 N1 89.86(8) . 3_666 ?
O1 Cu1 N1 90.14(8) 3_666 3_666 ?
O1 Cu1 N1 89.86(8) 3_666 . ?
O1 Cu1 N1 90.14(8) . . ?
O2 Cu1 O2 180.0 3_666 . ?
N1 Cu1 O2 88.54(7) 3_666 . ?
N1 Cu1 O2 88.54(7) . 3_666 ?
N1 Cu1 O2 91.46(7) 3_666 3_666 ?
N1 Cu1 O2 91.46(7) . . ?
N1 Cu1 N1 180.0 3_666 . ?
C7 O1 Cu1 110.91(14) . . ?
C7 O2 Cu1 74.39(16) . . ?
C1 N1 Cu1 120.49(17) . . ?
C5 N1 Cu1 122.75(16) . . ?
C5 N1 C1 116.7(2) . . ?
H2A N2 H2B 120.0 . . ?
C6 N2 H2A 120.0 . . ?
C6 N2 H2B 120.0 . . ?
C9 N3 H3 117.1 . . ?
C9 N3 C14 125.8(2) . . ?
C14 N3 H3 117.1 . . ?
N1 C1 H1 118.4 . . ?
N1 C1 C2 123.3(2) . . ?
C2 C1 H1 118.4 . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.6(2) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 C4 117.4(2) . . ?
C2 C3 C6 117.6(2) . . ?
C4 C3 C6 125.0(2) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.7(2) . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 123.3(2) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
O3 C6 N2 122.9(2) . . ?
O3 C6 C3 119.5(2) . . ?
N2 C6 C3 117.6(2) . . ?
O1 C7 C8 117.2(2) . . ?
O2 C7 O1 121.1(2) . . ?
O2 C7 C8 121.7(2) . . ?
C9 C8 C7 123.0(2) . . ?
C13 C8 C7 118.3(2) . . ?
C13 C8 C9 118.6(2) . . ?
N3 C9 C8 121.5(2) . . ?
N3 C9 C10 120.8(2) . . ?
C10 C9 C8 117.7(2) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.8(3) . . ?
C11 C10 H10 119.1 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.1(3) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.9 . . ?
C13 C12 C11 118.3(3) . . ?
C13 C12 H12 120.9 . . ?
C8 C13 H13 118.8 . . ?
C12 C13 C8 122.5(3) . . ?
C12 C13 H13 118.8 . . ?
C15 C14 N3 120.8(3) . . ?
C19 C14 N3 121.9(3) . . ?
C19 C14 C15 117.2(3) . . ?
C14 C15 Cl1 118.4(2) . . ?
C16 C15 Cl1 118.6(3) . . ?
C16 C15 C14 122.9(3) . . ?
C15 C16 C20 121.2(4) . . ?
C17 C16 C15 116.6(3) . . ?
C17 C16 C20 122.2(3) . . ?
C16 C17 H17 118.3 . . ?
C18 C17 C16 123.4(3) . . ?
C18 C17 H17 118.3 . . ?
C17 C18 H18 120.6 . . ?
C17 C18 C19 118.7(3) . . ?
C19 C18 H18 120.6 . . ?
C14 C19 Cl2 120.5(3) . . ?
C14 C19 C18 121.1(3) . . ?
C18 C19 Cl2 118.4(3) . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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
Cu1 O1 1.9093(16) . ?
Cu1 O1 1.9093(16) 3_666 ?
Cu1 O2 2.710(2) . ?
Cu1 O2 2.710(2) 3_666 ?
Cu1 N1 2.064(2) 3_666 ?
Cu1 N1 2.064(2) . ?
Cl1 C15 1.738(3) . ?
Cl2 C19 1.704(4) . ?
O1 C7 1.291(3) . ?
O2 C7 1.237(3) . ?
O3 C6 1.229(3) . ?
N1 C1 1.347(3) . ?
N1 C5 1.342(3) . ?
N2 H2A 0.8600 . ?
N2 H2B 0.8600 . ?
N2 C6 1.333(3) . ?
N3 H3 0.8600 . ?
N3 C9 1.374(4) . ?
N3 C14 1.406(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.371(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.382(4) . ?
C3 C4 1.390(3) . ?
C3 C6 1.503(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.368(4) . ?
C5 H5 0.9300 . ?
C7 C8 1.484(4) . ?
C8 C9 1.412(3) . ?
C8 C13 1.383(4) . ?
C9 C10 1.404(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.349(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.379(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.378(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.396(4) . ?
C14 C19 1.379(5) . ?
C15 C16 1.395(4) . ?
C16 C17 1.367(5) . ?
C16 C20 1.488(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.360(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.402(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N2 H2A O3 0.86 2.17 3.020(3) 170.4 2_545 yes
N2 H2B O2 0.86 2.17 3.015(3) 167.0 3_656 yes
N3 H3 O1 0.86 1.91 2.590(3) 135.1 . yes
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
Cu1 O1 C7 O2 -0.1(3) . . . . ?
Cu1 O1 C7 C8 -179.98(16) . . . . ?
Cu1 O2 C7 O1 0.10(19) . . . . ?
Cu1 O2 C7 C8 179.9(2) . . . . ?
Cu1 N1 C1 C2 176.3(2) . . . . ?
Cu1 N1 C5 C4 -176.8(2) . . . . ?
Cl1 C15 C16 C17 179.8(2) . . . . ?
Cl1 C15 C16 C20 -2.3(4) . . . . ?
O1 C7 C8 C9 -2.0(4) . . . . ?
O1 C7 C8 C13 176.0(2) . . . . ?
O2 C7 C8 C9 178.2(2) . . . . ?
O2 C7 C8 C13 -3.8(4) . . . . ?
N1 C1 C2 C3 0.4(4) . . . . ?
N3 C9 C10 C11 179.7(3) . . . . ?
N3 C14 C15 Cl1 3.8(4) . . . . ?
N3 C14 C15 C16 -173.8(3) . . . . ?
N3 C14 C19 Cl2 -2.4(4) . . . . ?
N3 C14 C19 C18 175.9(3) . . . . ?
C1 N1 C5 C4 0.2(4) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C1 C2 C3 C6 -177.6(2) . . . . ?
C2 C3 C4 C5 -1.2(4) . . . . ?
C2 C3 C6 O3 18.6(4) . . . . ?
C2 C3 C6 N2 -159.7(3) . . . . ?
C3 C4 C5 N1 0.8(4) . . . . ?
C4 C3 C6 O3 -159.5(3) . . . . ?
C4 C3 C6 N2 22.2(4) . . . . ?
C5 N1 C1 C2 -0.8(4) . . . . ?
C6 C3 C4 C5 176.9(3) . . . . ?
C7 C8 C9 N3 -2.4(4) . . . . ?
C7 C8 C9 C10 177.6(3) . . . . ?
C7 C8 C13 C12 -177.7(3) . . . . ?
C8 C9 C10 C11 -0.3(5) . . . . ?
C9 N3 C14 C15 -110.0(4) . . . . ?
C9 N3 C14 C19 73.8(4) . . . . ?
C9 C8 C13 C12 0.3(4) . . . . ?
C9 C10 C11 C12 1.1(6) . . . . ?
C10 C11 C12 C13 -1.1(5) . . . . ?
C11 C12 C13 C8 0.4(5) . . . . ?
C13 C8 C9 N3 179.6(3) . . . . ?
C13 C8 C9 C10 -0.4(4) . . . . ?
C14 N3 C9 C8 -179.6(3) . . . . ?
C14 N3 C9 C10 0.4(5) . . . . ?
C14 C15 C16 C17 -2.6(5) . . . . ?
C14 C15 C16 C20 175.3(3) . . . . ?
C15 C14 C19 Cl2 -178.7(2) . . . . ?
C15 C14 C19 C18 -0.4(5) . . . . ?
C15 C16 C17 C18 0.5(5) . . . . ?
C16 C17 C18 C19 1.5(6) . . . . ?
C17 C18 C19 Cl2 176.8(3) . . . . ?
C17 C18 C19 C14 -1.5(5) . . . . ?
C19 C14 C15 Cl1 -179.9(2) . . . . ?
C19 C14 C15 C16 2.5(4) . . . . ?
C20 C16 C17 C18 -177.3(4) . . . . ?
