#------------------------------------------------------------------------------
#$Date: 2025-08-19 11:35:14 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301801 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/15/2021533.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021533
loop_
_publ_author_name
'Hamamci Alisir, Sevim'
'Dege, Necmi'
'Tapramaz, Recep'
_publ_section_title
;
 Synthesis, crystal structures and characterizations of three new
 copper(II) complexes including anti-inflammatory diclofenac
;
_journal_coeditor_code           QF3021
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              388
_journal_page_last               397
_journal_paper_doi               10.1107/S2053229619001827
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Cu2 (C14 H10 Cl2 N1 O2)4 (C H4 O)2]'
_chemical_formula_moiety         'C58 H48 Cl8 Cu2 N4 O10'
_chemical_formula_sum            'C58 H48 Cl8 Cu2 N4 O10'
_chemical_formula_weight         1371.68
_chemical_name_systematic
Tetrakis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ²O:O'}bis(methanol-κO)copper(II)
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                113.097(4)
_cell_angle_beta                 90.217(4)
_cell_angle_gamma                99.529(4)
_cell_formula_units_Z            1
_cell_length_a                   10.5258(5)
_cell_length_b                   11.9908(6)
_cell_length_c                   13.0098(7)
_cell_measurement_reflns_used    18832
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      1.71
_cell_volume                     1485.26(14)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_reduction
;
X-RED32 (Stoe & Cie, 2002)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17101
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.042
_diffrn_reflns_theta_min         1.707
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           45
_diffrn_source_power             2.25
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    1.137
_exptl_absorpt_correction_T_max  0.7990
_exptl_absorpt_correction_T_min  0.5231
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
(X-RED32; Stoe & Cie, 2002)
;
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_description       prism
_exptl_crystal_F_000             698
_exptl_crystal_size_max          0.620
_exptl_crystal_size_mid          0.483
_exptl_crystal_size_min          0.240
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6511
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0877
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                5112
_reflns_number_total             6511
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            qf3021sup1.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 2021533--2021535.cif.'
_cod_database_code               2021533
_cod_database_fobs_code          2021533
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Cu Cu1 0.62472(2) 0.52584(2) 1.00611(2) 0.03371(8) Uani d 1
Cl Cl4 0.83375(8) -0.08701(8) 0.89976(7) 0.0768(2) Uani d 1
Cl Cl3 0.85861(10) 0.30347(8) 0.78876(8) 0.0866(3) Uani d 1
Cl Cl2 0.16436(11) 0.59749(10) 0.76281(7) 0.0937(3) Uani d 1
Cl Cl1 0.35861(10) 0.36461(9) 0.36844(8) 0.0894(3) Uani d 1
O O4 0.62230(15) 0.36876(14) 1.01926(13) 0.0455(4) Uani d 1
O O3 0.40678(15) 0.32667(14) 1.01186(14) 0.0489(4) Uani d 1
O O2 0.60524(15) 0.43459(15) 0.84294(12) 0.0470(4) Uani d 1
O O1 0.38967(15) 0.39115(15) 0.83091(12) 0.0483(4) Uani d 1
O O5 0.83487(16) 0.5793(2) 1.01673(17) 0.0632(5) Uani d 1
N N2 0.73925(19) 0.1329(2) 0.89084(18) 0.0531(5) Uani d 1
C C14 0.4971(2) 0.3826(2) 0.79014(17) 0.0396(5) Uani d 1
C C15 0.5167(2) 0.30170(19) 1.01925(16) 0.0378(4) Uani d 1
N N1 0.3130(2) 0.4168(2) 0.6095(2) 0.0598(6) Uani d 1
C C17 0.5110(2) 0.07874(19) 0.90659(18) 0.0372(4) Uani d 1
C C16 0.5230(2) 0.1793(2) 1.02367(18) 0.0411(5) Uani d 1
H H16A 0.453754 0.159035 1.065835 0.049 Uiso calc 1
H H16B 0.604480 0.184519 1.061892 0.049 Uiso calc 1
C C23 0.8557(2) 0.1087(2) 0.84249(19) 0.0456(5) Uani d 1
C C22 0.6184(2) 0.0558(2) 0.84408(18) 0.0404(5) Uani d 1
C C12 0.3755(2) 0.2299(2) 0.60337(17) 0.0449(5) Uani d 1
C C18 0.3916(2) 0.0066(2) 0.8594(2) 0.0459(5) Uani d 1
H H18 0.318817 0.022334 0.899259 0.055 Uiso calc 1
C C7 0.2868(2) 0.2867(2) 0.57186(18) 0.0465(5) Uani d 1
C C13 0.5015(2) 0.3034(2) 0.66690(18) 0.0512(6) Uani d 1
H H13A 0.538808 0.356621 0.630494 0.061 Uiso calc 1
H H13B 0.559761 0.246567 0.660437 0.061 Uiso calc 1
C C28 0.9269(2) 0.1854(2) 0.7973(2) 0.0504(5) Uani d 1
C C19 0.3787(2) -0.0882(2) 0.7544(2) 0.0530(6) Uani d 1
H H19 0.297905 -0.135746 0.724102 0.064 Uiso calc 1
C C5 0.1809(3) 0.5699(3) 0.6232(2) 0.0587(6) Uani d 1
C C6 0.2517(2) 0.4810(2) 0.5613(2) 0.0529(6) Uani d 1
C C21 0.6051(2) -0.0404(2) 0.7394(2) 0.0515(6) Uani d 1
H H21 0.677187 -0.056897 0.698858 0.062 Uiso calc 1
C C26 1.1011(2) 0.0759(3) 0.7665(2) 0.0648(8) Uani d 1
H H26 1.183182 0.065756 0.742638 0.078 Uiso calc 1
C C8 0.1751(3) 0.2163(3) 0.5065(2) 0.0578(6) Uani d 1
H H8 0.116684 0.254285 0.484193 0.069 Uiso calc 1
C C11 0.3481(3) 0.1035(2) 0.5707(2) 0.0592(7) Uani d 1
H H11 0.406241 0.064457 0.591920 0.071 Uiso calc 1
C C24 0.9129(2) 0.0131(2) 0.8444(2) 0.0509(6) Uani d 1
C C25 1.0338(3) -0.0035(3) 0.8074(2) 0.0631(7) Uani d 1
H H25 1.069356 -0.068278 0.810327 0.076 Uiso calc 1
C C20 0.4853(2) -0.1121(2) 0.6949(2) 0.0539(6) Uani d 1
H H20 0.477039 -0.176626 0.624557 0.065 Uiso calc 1
C C10 0.2349(3) 0.0339(3) 0.5067(2) 0.0701(9) Uani d 1
H H10 0.217088 -0.050950 0.485963 0.084 Uiso calc 1
C C9 0.1501(3) 0.0903(3) 0.4743(2) 0.0672(8) Uani d 1
H H9 0.075018 0.043575 0.430226 0.081 Uiso calc 1
C C4 0.1240(3) 0.6380(3) 0.5780(3) 0.0665(7) Uani d 1
H H4 0.077215 0.696516 0.622045 0.080 Uiso calc 1
C C2 0.2059(3) 0.5318(3) 0.4029(3) 0.0672(7) Uani d 1
H H2A 0.213237 0.517511 0.327771 0.081 Uiso calc 1
C C27 1.0482(2) 0.1701(3) 0.7604(2) 0.0598(7) Uani d 1
H H27 1.093533 0.223500 0.731672 0.072 Uiso calc 1
C C1 0.2645(3) 0.4657(3) 0.4498(2) 0.0588(6) Uani d 1
C C3 0.1369(3) 0.6188(3) 0.4680(3) 0.0708(8) Uani d 1
H H3 0.098957 0.664478 0.437115 0.085 Uiso calc 1
C C29 0.8947(3) 0.6347(4) 0.9482(3) 0.0878(11) Uani d 1
H H29A 0.986590 0.651599 0.964286 0.132 Uiso calc 1
H H29B 0.873667 0.580021 0.870947 0.132 Uiso calc 1
H H29C 0.864663 0.710374 0.962341 0.132 Uiso calc 1
H H5 0.8831(14) 0.547(3) 1.043(3) 0.132 Uiso d 1
H H2 0.736(3) 0.2071(16) 0.916(2) 0.052(8) Uiso d 1
H H1 0.331(3) 0.454(3) 0.6791(15) 0.077(10) Uiso d 1
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Cu1 O4 2_667 . 169.60(6) y
O3 Cu1 O2 2_667 . 90.02(7) y
O4 Cu1 O2 . . 87.92(7) y
O3 Cu1 O1 2_667 2_667 89.46(7) y
O4 Cu1 O1 . 2_667 90.76(7) y
O2 Cu1 O1 . 2_667 169.70(6) ?
O3 Cu1 O5 2_667 . 93.77(7) y
O4 Cu1 O5 . . 96.57(7) y
O2 Cu1 O5 . . 95.55(7) y
O1 Cu1 O5 2_667 . 94.74(7) y
O3 Cu1 Cu1 2_667 2_667 83.20(5) y
O4 Cu1 Cu1 . 2_667 86.46(5) y
O2 Cu1 Cu1 . 2_667 84.89(5) ?
O1 Cu1 Cu1 2_667 2_667 84.84(5) ?
O5 Cu1 Cu1 . 2_667 176.95(6) y
C15 O4 Cu1 . . 120.47(14) ?
C15 O3 Cu1 . 2_667 124.41(15) ?
C14 O2 Cu1 . . 122.47(14) ?
C14 O1 Cu1 . 2_667 121.76(13) ?
C29 O5 Cu1 . . 121.02(19) ?
C29 O5 H5 . . 114.2(12) ?
Cu1 O5 H5 . . 121.4(12) ?
C23 N2 C22 . . 122.94(19) ?
C23 N2 H2 . . 111.7(19) ?
C22 N2 H2 . . 113.6(19) ?
O1 C14 O2 . . 125.66(19) ?
O1 C14 C13 . . 119.10(19) ?
O2 C14 C13 . . 115.24(19) ?
O3 C15 O4 . . 125.4(2) ?
O3 C15 C16 . . 117.42(19) ?
O4 C15 C16 . . 117.11(19) ?
C6 N1 C7 . . 123.4(2) ?
C6 N1 H1 . . 115(2) ?
C7 N1 H1 . . 113(2) ?
C18 C17 C22 . . 118.5(2) ?
C18 C17 C16 . . 120.05(19) ?
C22 C17 C16 . . 121.48(19) ?
C15 C16 C17 . . 110.75(17) ?
C15 C16 H16A . . 109.5 ?
C17 C16 H16A . . 109.5 ?
C15 C16 H16B . . 109.5 ?
C17 C16 H16B . . 109.5 ?
H16A C16 H16B . . 108.1 ?
C24 C23 C28 . . 115.6(2) ?
C24 C23 N2 . . 122.3(2) ?
C28 C23 N2 . . 121.9(2) ?
C21 C22 C17 . . 120.0(2) ?
C21 C22 N2 . . 121.8(2) ?
C17 C22 N2 . . 118.24(19) ?
C11 C12 C7 . . 118.7(2) ?
C11 C12 C13 . . 120.5(2) ?
C7 C12 C13 . . 120.7(2) ?
C19 C18 C17 . . 121.2(2) ?
C19 C18 H18 . . 119.4 ?
C17 C18 H18 . . 119.4 ?
C8 C7 C12 . . 120.0(2) ?
C8 C7 N1 . . 121.6(2) ?
C12 C7 N1 . . 118.4(2) ?
C12 C13 C14 . . 116.90(19) ?
C12 C13 H13A . . 108.1 ?
C14 C13 H13A . . 108.1 ?
C12 C13 H13B . . 108.1 ?
C14 C13 H13B . . 108.1 ?
H13A C13 H13B . . 107.3 ?
C27 C28 C23 . . 122.4(2) ?
C27 C28 Cl3 . . 119.8(2) ?
C23 C28 Cl3 . . 117.78(19) ?
C20 C19 C18 . . 119.9(2) ?
C20 C19 H19 . . 120.1 ?
C18 C19 H19 . . 120.1 ?
C4 C5 C6 . . 122.7(3) ?
C4 C5 Cl2 . . 118.5(2) ?
C6 C5 Cl2 . . 118.8(2) ?
C5 C6 N1 . . 121.9(2) ?
C5 C6 C1 . . 116.0(2) ?
N1 C6 C1 . . 122.0(3) ?
C20 C21 C22 . . 120.4(2) ?
C20 C21 H21 . . 119.8 ?
C22 C21 H21 . . 119.8 ?
C25 C26 C27 . . 120.3(2) ?
C25 C26 H26 . . 119.9 ?
C27 C26 H26 . . 119.9 ?
C9 C8 C7 . . 120.4(3) ?
C9 C8 H8 . . 119.8 ?
C7 C8 H8 . . 119.8 ?
C12 C11 C10 . . 120.9(3) ?
C12 C11 H11 . . 119.5 ?
C10 C11 H11 . . 119.5 ?
C25 C24 C23 . . 122.6(2) ?
C25 C24 Cl4 . . 117.8(2) ?
C23 C24 Cl4 . . 119.54(18) ?
C26 C25 C24 . . 119.6(3) ?
C26 C25 H25 . . 120.2 ?
C24 C25 H25 . . 120.2 ?
C19 C20 C21 . . 120.0(2) ?
C19 C20 H20 . . 120.0 ?
C21 C20 H20 . . 120.0 ?
C9 C10 C11 . . 119.8(3) ?
C9 C10 H10 . . 120.1 ?
C11 C10 H10 . . 120.1 ?
C10 C9 C8 . . 120.2(3) ?
C10 C9 H9 . . 119.9 ?
C8 C9 H9 . . 119.9 ?
C3 C4 C5 . . 119.6(3) ?
C3 C4 H4 . . 120.2 ?
C5 C4 H4 . . 120.2 ?
C3 C2 C1 . . 119.8(3) ?
C3 C2 H2A . . 120.1 ?
C1 C2 H2A . . 120.1 ?
C26 C27 C28 . . 119.5(3) ?
C26 C27 H27 . . 120.3 ?
C28 C27 H27 . . 120.3 ?
C2 C1 C6 . . 121.8(3) ?
C2 C1 Cl1 . . 118.6(2) ?
C6 C1 Cl1 . . 119.6(2) ?
C4 C3 C2 . . 120.0(3) ?
C4 C3 H3 . . 120.0 ?
C2 C3 H3 . . 120.0 ?
O5 C29 H29A . . 109.5 ?
O5 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
O5 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O3 2_667 1.9519(16) y
Cu1 O4 . 1.9532(15) y
Cu1 O2 . 1.9610(15) y
Cu1 O1 2_667 1.9764(15) y
Cu1 O5 . 2.1866(17) y
Cu1 Cu1 2_667 2.5854(5) y
Cl4 C24 . 1.734(3) ?
Cl3 C28 . 1.729(3) ?
Cl2 C5 . 1.729(3) ?
Cl1 C1 . 1.723(3) ?
O4 C15 . 1.260(3) ?
O3 C15 . 1.254(3) ?
O2 C14 . 1.256(3) ?
O1 C14 . 1.254(3) ?
O5 C29 . 1.401(4) ?
O5 H5 . 0.829(9) ?
N2 C23 . 1.401(3) ?
N2 C22 . 1.417(3) ?
N2 H2 . 0.824(17) ?
C14 C13 . 1.515(3) ?
C15 C16 . 1.503(3) ?
N1 C6 . 1.393(3) ?
N1 C7 . 1.417(3) ?
N1 H1 . 0.842(17) ?
C17 C18 . 1.387(3) ?
C17 C22 . 1.396(3) ?
C17 C16 . 1.516(3) ?
C16 H16A . 0.9700 ?
C16 H16B . 0.9700 ?
C23 C24 . 1.388(3) ?
C23 C28 . 1.398(3) ?
C22 C21 . 1.385(3) ?
C12 C11 . 1.383(4) ?
C12 C7 . 1.389(3) ?
C12 C13 . 1.501(3) ?
C18 C19 . 1.381(3) ?
C18 H18 . 0.9300 ?
C7 C8 . 1.385(3) ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C28 C27 . 1.380(4) ?
C19 C20 . 1.371(4) ?
C19 H19 . 0.9300 ?
C5 C4 . 1.381(4) ?
C5 C6 . 1.390(4) ?
C6 C1 . 1.399(4) ?
C21 C20 . 1.381(4) ?
C21 H21 . 0.9300 ?
C26 C25 . 1.366(4) ?
C26 C27 . 1.368(4) ?
C26 H26 . 0.9300 ?
C8 C9 . 1.378(4) ?
C8 H8 . 0.9300 ?
C11 C10 . 1.388(4) ?
C11 H11 . 0.9300 ?
C24 C25 . 1.380(3) ?
C25 H25 . 0.9300 ?
C20 H20 . 0.9300 ?
C10 C9 . 1.360(5) ?
C10 H10 . 0.9300 ?
C9 H9 . 0.9300 ?
C4 C3 . 1.369(4) ?
C4 H4 . 0.9300 ?
C2 C3 . 1.376(4) ?
C2 C1 . 1.386(4) ?
C2 H2A . 0.9300 ?
C27 H27 . 0.9300 ?
C3 H3 . 0.9300 ?
C29 H29A . 0.9600 ?
C29 H29B . 0.9600 ?
C29 H29C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C29 H29A Cl2 1_655 0.96 3.15 3.701(3) 118.5
N2 H2 O4 . 0.824(17) 2.40(2) 3.125(3) 148(2)
N1 H1 O1 . 0.842(17) 2.48(3) 3.132(3) 135(3)
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_site_symmetry_1
_geom_torsion
Cu1 O1 C14 O2 2_667 -7.9(3)
Cu1 O1 C14 C13 2_667 171.88(16)
Cu1 O2 C14 O1 . 7.0(3)
Cu1 O2 C14 C13 . -172.79(16)
Cu1 O3 C15 O4 2_667 2.0(3)
Cu1 O3 C15 C16 2_667 -175.29(13)
Cu1 O4 C15 O3 . -0.4(3)
Cu1 O4 C15 C16 . 176.91(13)
O3 C15 C16 C17 . 84.8(2)
O4 C15 C16 C17 . -92.8(2)
C18 C17 C16 C15 . -95.1(2)
C22 C17 C16 C15 . 85.2(2)
C22 N2 C23 C24 . -71.7(3)
C22 N2 C23 C28 . 113.5(3)
C18 C17 C22 C21 . -2.6(3)
C16 C17 C22 C21 . 177.0(2)
C18 C17 C22 N2 . 177.5(2)
C16 C17 C22 N2 . -2.8(3)
C23 N2 C22 C21 . -8.4(4)
C23 N2 C22 C17 . 171.4(2)
C22 C17 C18 C19 . 1.8(3)
C16 C17 C18 C19 . -177.9(2)
C11 C12 C7 C8 . -1.7(3)
C13 C12 C7 C8 . 175.4(2)
C11 C12 C7 N1 . 177.5(2)
C13 C12 C7 N1 . -5.4(3)
C6 N1 C7 C8 . -18.3(4)
C6 N1 C7 C12 . 162.5(2)
C11 C12 C13 C14 . -107.3(3)
C7 C12 C13 C14 . 75.6(3)
O1 C14 C13 C12 . -5.7(3)
O2 C14 C13 C12 . 174.2(2)
C24 C23 C28 C27 . -2.2(3)
N2 C23 C28 C27 . 172.9(2)
C24 C23 C28 Cl3 . 178.11(18)
N2 C23 C28 Cl3 . -6.8(3)
C17 C18 C19 C20 . -0.1(4)
C4 C5 C6 N1 . 177.3(3)
Cl2 C5 C6 N1 . -2.2(4)
C4 C5 C6 C1 . 1.2(4)
Cl2 C5 C6 C1 . -178.2(2)
C7 N1 C6 C5 . 121.3(3)
C7 N1 C6 C1 . -62.9(4)
C17 C22 C21 C20 . 1.8(4)
N2 C22 C21 C20 . -178.4(2)
C12 C7 C8 C9 . 1.3(4)
N1 C7 C8 C9 . -177.8(2)
C7 C12 C11 C10 . 0.7(4)
C13 C12 C11 C10 . -176.5(2)
C28 C23 C24 C25 . 1.9(4)
N2 C23 C24 C25 . -173.1(2)
C28 C23 C24 Cl4 . 179.45(17)
N2 C23 C24 Cl4 . 4.4(3)
C27 C26 C25 C24 . -1.0(4)
C23 C24 C25 C26 . -0.4(4)
Cl4 C24 C25 C26 . -177.9(2)
C18 C19 C20 C21 . -0.8(4)
C22 C21 C20 C19 . 0.0(4)
C12 C11 C10 C9 . 0.7(4)
C11 C10 C9 C8 . -1.2(4)
C7 C8 C9 C10 . 0.1(4)
C6 C5 C4 C3 . -0.1(4)
Cl2 C5 C4 C3 . 179.3(2)
C25 C26 C27 C28 . 0.8(4)
C23 C28 C27 C26 . 0.9(4)
Cl3 C28 C27 C26 . -179.4(2)
C3 C2 C1 C6 . 2.5(5)
C3 C2 C1 Cl1 . -176.0(2)
C5 C6 C1 C2 . -2.4(4)
N1 C6 C1 C2 . -178.4(3)
C5 C6 C1 Cl1 . 176.1(2)
N1 C6 C1 Cl1 . 0.0(4)
C5 C4 C3 C2 . 0.2(5)
C1 C2 C3 C4 . -1.3(5)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139062909
