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#$Date: 2024-05-05 06:14:31 +0300 (Sun, 05 May 2024) $
#$Revision: 291655 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/54/7715470.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_7715470
loop_
_publ_author_name
'Jeong, Ah Rim'
'Park, Si Ra'
'Shin, Jong Won'
'Kim, Jihyun'
'Tokunaga, Ryuya'
'Hayami, Shinya'
'Min, Kil Sik'
_publ_section_title
;
 Mononuclear Fe(III) complexes with
 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis,
 structure, and magnetic behavior.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6809
_journal_page_last               6817
_journal_paper_doi               10.1039/d3dt04385a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C32 H18 Cl4 Fe N4 O2, Cl O4'
_chemical_formula_sum            'C32 H18 Cl5 Fe N4 O6'
_chemical_formula_weight         787.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-02-13 deposited with the CCDC.	2024-03-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.82(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.289(3)
_cell_length_b                   17.702(4)
_cell_length_c                   15.399(3)
_cell_measurement_reflns_used    78786
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.48
_cell_measurement_theta_min      0.36
_cell_volume                     3708.2(15)
_computing_cell_refinement       HKL3000sm
_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_data_reduction        HKL3000sm
_computing_molecular_graphics    ORTEP
_computing_publication_material  WINGX
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 0.958
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37942
_diffrn_reflns_point_group_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.599
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.579
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.933
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000 Scalepack'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_description       block
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.920
_refine_diff_density_min         -1.281
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.015(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         9877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0748
_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)+(0.1642P)²+3.1062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2342
_refine_ls_wR_factor_ref         0.2486
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7465
_reflns_number_total             9877
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04385a2.cif
_cod_data_source_block           3b(293k)_sq
_cod_depositor_comments
'Adding full bibliography for 7715466--7715471.cif.'
_cod_original_cell_volume        3708.1(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7715470
_shelx_shelxl_version_number     2019/3
_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_min   0.918
_shelx_estimated_absorpt_t_max   0.972
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Fe1 Fe 0.59712(3) 0.54583(2) 0.77687(3) 0.02972(16) Uani 1 1 d . . . . .
Cl1 Cl 0.75655(10) 0.92765(6) 0.83343(9) 0.0639(3) Uani 1 1 d . . . . .
Cl2 Cl 0.82183(9) 0.66576(6) 1.01884(7) 0.0658(4) Uani 1 1 d . . . . .
Cl3 Cl 1.11677(10) 0.51856(17) 0.8946(2) 0.1678(14) Uani 1 1 d . . . . .
Cl4 Cl 0.81956(8) 0.67057(7) 0.66273(8) 0.0647(3) Uani 1 1 d . . . . .
N1 N 0.52654(19) 0.48285(16) 0.67022(18) 0.0357(5) Uani 1 1 d . . . . .
N2 N 0.51914(18) 0.62572(16) 0.70322(17) 0.0336(5) Uani 1 1 d . . . . .
N3 N 0.49578(18) 0.51539(15) 0.83286(18) 0.0326(5) Uani 1 1 d . . . . .
N4 N 0.6694(2) 0.46327(14) 0.85021(19) 0.0336(5) Uani 1 1 d . . . . .
O1 O 0.65445(16) 0.61131(12) 0.87488(14) 0.0344(4) Uani 1 1 d . . . . .
O2 O 0.69590(16) 0.56835(14) 0.72453(15) 0.0358(5) Uani 1 1 d . . . . .
C1 C 0.4519(2) 0.5217(2) 0.6096(2) 0.0376(7) Uani 1 1 d . . . . .
C2 C 0.5410(3) 0.4106(2) 0.6538(3) 0.0437(7) Uani 1 1 d . . . . .
H2 H 0.591470 0.383949 0.695048 0.052 Uiso 1 1 calc R U . . .
C3 C 0.4819(3) 0.3738(2) 0.5758(3) 0.0518(9) Uani 1 1 d . . . . .
H3 H 0.494278 0.323587 0.565416 0.062 Uiso 1 1 calc R U . . .
C4 C 0.4063(3) 0.4110(3) 0.5148(3) 0.0529(10) Uani 1 1 d . . . . .
H4 H 0.367577 0.386398 0.462822 0.063 Uiso 1 1 calc R U . . .
C5 C 0.3875(3) 0.4870(3) 0.5311(2) 0.0470(8) Uani 1 1 d . . . . .
C6 C 0.3100(3) 0.5310(3) 0.4757(3) 0.0581(11) Uani 1 1 d . . . . .
H6 H 0.268057 0.510410 0.422337 0.070 Uiso 1 1 calc R U . . .
C7 C 0.2955(3) 0.6036(3) 0.4992(3) 0.0590(11) Uani 1 1 d . . . . .
H7 H 0.241277 0.630536 0.464003 0.071 Uiso 1 1 calc R U . . .
C8 C 0.3618(3) 0.6383(2) 0.5761(3) 0.0470(8) Uani 1 1 d . . . . .
H8 H 0.351433 0.687714 0.591423 0.056 Uiso 1 1 calc R U . . .
C9 C 0.4413(2) 0.5985(2) 0.6281(2) 0.0378(7) Uani 1 1 d . . . . .
C10 C 0.5406(2) 0.69626(19) 0.7131(2) 0.0381(7) Uani 1 1 d . . . . .
H10 H 0.501402 0.730020 0.671299 0.046 Uiso 1 1 calc R U . . .
C11 C 0.6222(2) 0.72619(19) 0.7854(2) 0.0365(6) Uani 1 1 d . . . . .
C12 C 0.6471(3) 0.8020(2) 0.7780(2) 0.0430(7) Uani 1 1 d . . . . .
H12 H 0.610688 0.830865 0.728795 0.052 Uiso 1 1 calc R U . . .
C13 C 0.7252(3) 0.83377(19) 0.8432(3) 0.0440(8) Uani 1 1 d . . . . .
C14 C 0.7796(3) 0.7919(2) 0.9168(3) 0.0451(8) Uani 1 1 d . . . . .
H14 H 0.833200 0.813328 0.960214 0.054 Uiso 1 1 calc R U . . .
C15 C 0.7537(3) 0.7178(2) 0.9254(2) 0.0408(7) Uani 1 1 d . . . . .
C16 C 0.6750(2) 0.68223(17) 0.8612(2) 0.0330(6) Uani 1 1 d . . . . .
C17 C 0.5200(2) 0.45187(17) 0.8848(2) 0.0338(6) Uani 1 1 d . . . . .
C18 C 0.4115(2) 0.5500(2) 0.8269(3) 0.0404(7) Uani 1 1 d . . . . .
H18 H 0.395586 0.593991 0.792407 0.049 Uiso 1 1 calc R U . . .
C19 C 0.3459(3) 0.5225(2) 0.8709(3) 0.0472(8) Uani 1 1 d . . . . .
H19 H 0.287777 0.548248 0.865659 0.057 Uiso 1 1 calc R U . . .
C20 C 0.3672(3) 0.4583(2) 0.9209(3) 0.0478(9) Uani 1 1 d . . . . .
H20 H 0.323114 0.439397 0.949100 0.057 Uiso 1 1 calc R U . . .
C21 C 0.4567(3) 0.42029(19) 0.9300(2) 0.0403(7) Uani 1 1 d . . . . .
C22 C 0.4882(3) 0.3544(2) 0.9818(3) 0.0503(9) Uani 1 1 d . . . . .
H22 H 0.447660 0.331672 1.011368 0.060 Uiso 1 1 calc R U . . .
C23 C 0.5787(3) 0.3234(2) 0.9890(3) 0.0505(9) Uani 1 1 d . . . . .
H23 H 0.598635 0.280193 1.024180 0.061 Uiso 1 1 calc R U . . .
C24 C 0.6417(3) 0.35552(19) 0.9445(3) 0.0435(7) Uani 1 1 d . . . . .
H24 H 0.702193 0.333342 0.949672 0.052 Uiso 1 1 calc R U . . .
C25 C 0.6132(2) 0.41993(17) 0.8934(2) 0.0358(6) Uani 1 1 d . . . . .
C26 C 0.7626(3) 0.4526(2) 0.8675(3) 0.0460(8) Uani 1 1 d . . . . .
H26 H 0.791097 0.412357 0.905111 0.055 Uiso 1 1 calc R U . . .
C27 C 0.8251(3) 0.4987(2) 0.8325(3) 0.0498(9) Uani 1 1 d . . . . .
C28 C 0.9264(3) 0.4863(3) 0.8705(4) 0.084(2) Uani 1 1 d . . . . .
H28 H 0.949476 0.448007 0.913052 0.101 Uiso 1 1 calc R U . . .
C29 C 0.9909(3) 0.5314(4) 0.8441(5) 0.095(2) Uani 1 1 d . . . . .
C30 C 0.9589(3) 0.5887(3) 0.7804(4) 0.0723(15) Uani 1 1 d . . . . .
H30 H 1.003757 0.619967 0.765214 0.087 Uiso 1 1 calc R U . . .
C31 C 0.8599(3) 0.5982(2) 0.7402(3) 0.0487(9) Uani 1 1 d . . . . .
C32 C 0.7889(2) 0.5548(2) 0.7660(2) 0.0385(7) Uani 1 1 d . . . . .
Cl5 Cl 0.73157(12) 0.24606(8) 0.73579(11) 0.0749(4) Uani 1 1 d . . . . .
O3 O 0.6301(6) 0.2375(5) 0.7227(7) 0.1881(19) Uani 1 1 d . . . . .
O4 O 0.7739(6) 0.1812(5) 0.7371(7) 0.1881(19) Uani 1 1 d . . . . .
O5 O 0.7770(6) 0.2805(5) 0.8207(8) 0.1881(19) Uani 1 1 d . . . . .
O6 O 0.7466(6) 0.3106(5) 0.6966(8) 0.1881(19) 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 0.0020 0.0010 '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 0.0050 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0090 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1230 0.1260 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3241 0.6814 '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
O2 Fe1 O1 90.79(10) . . ?
O2 Fe1 N2 88.10(11) . . ?
O1 Fe1 N2 92.93(11) . . ?
O2 Fe1 N4 94.25(11) . . ?
O1 Fe1 N4 88.49(11) . . ?
N2 Fe1 N4 177.24(11) . . ?
O2 Fe1 N3 176.39(11) . . ?
O1 Fe1 N3 90.87(10) . . ?
N2 Fe1 N3 95.02(11) . . ?
N4 Fe1 N3 82.58(11) . . ?
O2 Fe1 N1 91.29(11) . . ?
O1 Fe1 N1 174.95(11) . . ?
N2 Fe1 N1 82.54(12) . . ?
N4 Fe1 N1 95.95(12) . . ?
N3 Fe1 N1 87.32(11) . . ?
C2 N1 C1 119.1(3) . . ?
C2 N1 Fe1 128.8(2) . . ?
C1 N1 Fe1 112.0(2) . . ?
C10 N2 C9 121.7(3) . . ?
C10 N2 Fe1 124.5(2) . . ?
C9 N2 Fe1 113.3(2) . . ?
C18 N3 C17 118.9(3) . . ?
C18 N3 Fe1 127.9(2) . . ?
C17 N3 Fe1 113.2(2) . . ?
C26 N4 C25 121.5(3) . . ?
C26 N4 Fe1 124.2(2) . . ?
C25 N4 Fe1 113.9(2) . . ?
C16 O1 Fe1 121.42(19) . . ?
C32 O2 Fe1 122.6(2) . . ?
N1 C1 C9 117.2(3) . . ?
N1 C1 C5 122.1(4) . . ?
C9 C1 C5 120.6(3) . . ?
N1 C2 C3 121.4(4) . . ?
N1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 120.7(4) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 119.5(3) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C6 C5 C4 125.3(4) . . ?
C6 C5 C1 117.6(4) . . ?
C4 C5 C1 117.2(4) . . ?
C7 C6 C5 120.9(4) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C8 120.9(4) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C7 119.5(4) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C1 120.0(3) . . ?
C8 C9 N2 127.3(3) . . ?
C1 C9 N2 112.7(3) . . ?
N2 C10 C11 123.8(3) . . ?
N2 C10 H10 118.1 . . ?
C11 C10 H10 118.1 . . ?
C12 C11 C16 120.6(3) . . ?
C12 C11 C10 117.0(3) . . ?
C16 C11 C10 122.4(3) . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 120.6(3) . . ?
C12 C13 Cl1 120.1(3) . . ?
C14 C13 Cl1 119.4(3) . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C14 C15 C16 122.8(3) . . ?
C14 C15 Cl2 119.0(3) . . ?
C16 C15 Cl2 118.2(3) . . ?
O1 C16 C15 119.0(3) . . ?
O1 C16 C11 124.5(3) . . ?
C15 C16 C11 116.5(3) . . ?
N3 C17 C21 122.0(3) . . ?
N3 C17 C25 116.6(3) . . ?
C21 C17 C25 121.4(3) . . ?
N3 C18 C19 122.1(4) . . ?
N3 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C20 C19 C18 120.1(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 119.6(3) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 C20 125.0(3) . . ?
C22 C21 C17 117.7(3) . . ?
C20 C21 C17 117.3(3) . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 121.6(4) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C25 C24 C23 119.4(4) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C17 119.4(3) . . ?
C24 C25 N4 127.4(3) . . ?
C17 C25 N4 113.1(3) . . ?
N4 C26 C27 124.3(3) . . ?
N4 C26 H26 117.9 . . ?
C27 C26 H26 117.9 . . ?
C28 C27 C32 121.1(3) . . ?
C28 C27 C26 115.9(3) . . ?
C32 C27 C26 123.0(3) . . ?
C29 C28 C27 119.1(4) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C28 C29 C30 121.9(4) . . ?
C28 C29 Cl3 119.2(4) . . ?
C30 C29 Cl3 118.9(4) . . ?
C31 C30 C29 118.7(4) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C30 C31 C32 122.2(4) . . ?
C30 C31 Cl4 119.0(3) . . ?
C32 C31 Cl4 118.6(3) . . ?
O2 C32 C27 125.2(3) . . ?
O2 C32 C31 118.0(3) . . ?
C27 C32 C31 116.8(3) . . ?
O4 Cl5 O6 128.6(6) . . ?
O4 Cl5 O5 106.8(6) . . ?
O6 Cl5 O5 87.5(6) . . ?
O4 Cl5 O3 111.3(5) . . ?
O6 Cl5 O3 109.1(5) . . ?
O5 Cl5 O3 109.9(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
Fe1 O2 1.870(2) . ?
Fe1 O1 1.880(2) . ?
Fe1 N2 1.938(3) . ?
Fe1 N4 1.940(3) . ?
Fe1 N3 1.974(3) . ?
Fe1 N1 1.986(3) . ?
Cl1 C13 1.740(4) . ?
Cl2 C15 1.735(3) . ?
Cl3 C29 1.743(5) . ?
Cl4 C31 1.725(4) . ?
N1 C2 1.333(5) . ?
N1 C1 1.369(4) . ?
N2 C10 1.284(4) . ?
N2 C9 1.421(4) . ?
N3 C18 1.329(4) . ?
N3 C17 1.361(4) . ?
N4 C26 1.290(4) . ?
N4 C25 1.415(4) . ?
O1 C16 1.321(4) . ?
O2 C32 1.308(4) . ?
C1 C9 1.407(5) . ?
C1 C5 1.416(5) . ?
C2 C3 1.399(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.410(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.408(6) . ?
C6 C7 1.369(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.410(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.367(5) . ?
C8 H8 0.9300 . ?
C10 C11 1.444(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.403(5) . ?
C11 C16 1.413(4) . ?
C12 C13 1.372(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.377(5) . ?
C14 C15 1.380(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.399(4) . ?
C17 C21 1.415(4) . ?
C17 C25 1.415(5) . ?
C18 C19 1.401(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.353(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.414(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.407(5) . ?
C22 C23 1.378(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.408(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(5) . ?
C24 H24 0.9300 . ?
C26 C27 1.431(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.403(5) . ?
C27 C32 1.406(5) . ?
C28 C29 1.372(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(7) . ?
C30 C31 1.369(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.423(5) . ?
Cl5 O4 1.295(9) . ?
Cl5 O6 1.340(9) . ?
Cl5 O5 1.408(11) . ?
Cl5 O3 1.410(8) . ?
