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#$Date: 2024-03-04 22:38:56 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290250 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/30/7063013.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_7063013
loop_
_publ_author_name
'Santu, Ansa'
'Hashim, K. K. Mohammed'
'Manoj, E.'
_publ_section_title
;
 An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii)
 and cadmium(ii) coordination complexes and their biological implications
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4496
_journal_page_last               4506
_journal_paper_doi               10.1039/D4NJ00446A
_journal_volume                  48
_journal_year                    2024
_chemical_formula_sum            'C33 H35 Br4 Cl2 N11 O6 Zn'
_chemical_formula_weight         1137.63
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-06-07 deposited with the CCDC.	2024-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                115.0430(10)
_cell_angle_beta                 99.3430(10)
_cell_angle_gamma                95.0030(10)
_cell_formula_units_Z            2
_cell_length_a                   12.4293(3)
_cell_length_b                   13.9253(3)
_cell_length_c                   14.0492(3)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      68.24
_cell_measurement_theta_min      3.56
_cell_volume                     2140.51(9)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture Diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'micro focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1049
_diffrn_reflns_av_unetI/netI     0.1154
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            77726
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.522
_diffrn_reflns_theta_min         3.558
_exptl_absorpt_coefficient_mu    6.792
_exptl_absorpt_correction_T_max  0.788
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_description       needle
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.223
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.035
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       0.00045(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         7857
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0510
_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)+(0.0432P)²+4.6321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1250
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5574
_reflns_number_total             7857
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj00446a2.cif
_cod_data_source_block           DSA
_cod_depositor_comments
'Adding full bibliography for 7063013--7063014.cif.'
_cod_original_cell_volume        2140.51(8)
_cod_database_code               7063013
_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_min   0.313
_shelx_estimated_absorpt_t_max   0.797
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_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
Br2 Br 0.25106(6) 1.05783(5) 1.00851(6) 0.0727(2) Uani 1 1 d . . . . .
Zn1 Zn 0.55464(5) 0.70280(4) 0.55373(5) 0.04162(16) Uani 1 1 d . . . . .
Br4 Br 0.01846(7) 0.86158(8) 0.04984(8) 0.0997(3) Uani 1 1 d . . . . .
O1 O 0.5435(3) 0.6861(3) 0.4001(3) 0.0502(8) Uani 1 1 d . . . . .
O4 O 0.8785(4) 1.1887(4) 0.4731(5) 0.0885(15) Uani 1 1 d D . . . .
O3 O 0.1677(3) 0.5859(3) 0.2606(4) 0.0762(12) Uani 1 1 d D . . . .
N1 N 0.6387(3) 0.5699(3) 0.5009(3) 0.0462(9) Uani 1 1 d . . . . .
N2 N 0.6679(4) 0.5338(3) 0.5782(4) 0.0529(10) Uani 1 1 d D . . . .
N4 N 0.5408(3) 0.6971(3) 0.7797(3) 0.0455(9) Uani 1 1 d . . . . .
O2 O 0.5388(4) 0.7255(3) 0.9797(3) 0.0682(11) Uani 1 1 d D . . . .
N6 N 0.3837(3) 0.8472(3) 0.3153(3) 0.0395(8) Uani 1 1 d . . . . .
N7 N 0.4860(3) 0.8590(3) 0.3804(3) 0.0401(8) Uani 1 1 d D . . . .
N9 N 0.7485(3) 1.0278(3) 0.4859(3) 0.0435(8) Uani 1 1 d . . . . .
N10 N 0.5462(4) 1.0128(3) 0.3656(3) 0.0460(9) Uani 1 1 d D . . . .
C4 C 0.6684(5) 0.5003(4) 0.1399(5) 0.0602(13) Uani 1 1 d . . . . .
C5 C 0.6888(4) 0.4853(4) 0.2312(5) 0.0569(13) Uani 1 1 d . . . . .
H5 H 0.731961 0.434826 0.233752 0.068 Uiso 1 1 calc R U . . .
C6 C 0.6458(4) 0.5446(4) 0.3206(4) 0.0474(11) Uani 1 1 d . . . . .
C1 C 0.5812(4) 0.6232(4) 0.3173(4) 0.0446(10) Uani 1 1 d . . . . .
C2 C 0.5583(4) 0.6312(4) 0.2204(4) 0.0556(12) Uani 1 1 d . . . . .
H2 H 0.512108 0.678453 0.214708 0.067 Uiso 1 1 calc R U . . .
C3 C 0.6011(5) 0.5723(4) 0.1326(4) 0.0587(13) Uani 1 1 d . . . . .
H3 H 0.584984 0.580723 0.069873 0.070 Uiso 1 1 calc R U . . .
C8 C 0.6284(4) 0.5783(4) 0.6690(4) 0.0460(11) Uani 1 1 d . . . . .
N5 N 0.6552(5) 0.5396(4) 0.7407(5) 0.0629(12) Uani 1 1 d . . . . .
N3 N 0.5716(3) 0.6553(3) 0.6806(3) 0.0442(9) Uani 1 1 d . . . . .
C9 C 0.4865(4) 0.7743(4) 0.7980(4) 0.0474(11) Uani 1 1 d . . . . .
H9 H 0.471120 0.798763 0.745863 0.057 Uiso 1 1 calc R U . . .
C10 C 0.4477(4) 0.8255(4) 0.8965(4) 0.0462(10) Uani 1 1 d . . . . .
C15 C 0.4757(5) 0.8003(4) 0.9837(4) 0.0545(12) Uani 1 1 d . . . . .
C14 C 0.4377(5) 0.8550(5) 1.0767(5) 0.0647(15) Uani 1 1 d . . . . .
H14 H 0.457093 0.839518 1.134781 0.078 Uiso 1 1 calc R U . . .
C13 C 0.3723(5) 0.9311(5) 1.0849(4) 0.0630(14) Uani 1 1 d . . . . .
H13 H 0.347321 0.966605 1.147648 0.076 Uiso 1 1 calc R U . . .
C12 C 0.3438(4) 0.9545(4) 0.9990(4) 0.0523(11) Uani 1 1 d . . . . .
C11 C 0.3815(4) 0.9032(4) 0.9065(4) 0.0504(11) Uani 1 1 d . . . . .
H11 H 0.362382 0.920802 0.849818 0.060 Uiso 1 1 calc R U . . .
C18 C -0.0056(5) 0.6808(5) 0.0950(5) 0.0682(16) Uani 1 1 d . . . . .
H18 H -0.075597 0.662044 0.050141 0.082 Uiso 1 1 calc R U . . .
C19 C 0.0655(4) 0.7713(5) 0.1130(4) 0.0585(13) Uani 1 1 d . . . . .
C20 C 0.1692(4) 0.8011(4) 0.1791(4) 0.0505(11) Uani 1 1 d . . . . .
H20 H 0.215301 0.863191 0.190923 0.061 Uiso 1 1 calc R U . . .
C21 C 0.2050(4) 0.7371(3) 0.2289(4) 0.0423(10) Uani 1 1 d . . . . .
C22 C 0.3150(4) 0.7646(4) 0.2973(4) 0.0427(10) Uani 1 1 d . . . . .
H22 H 0.336108 0.720513 0.328970 0.051 Uiso 1 1 calc R U . . .
C23 C 0.5639(4) 0.9409(3) 0.4017(3) 0.0386(9) Uani 1 1 d . . . . .
N8 N 0.6616(3) 0.9469(3) 0.4618(3) 0.0443(9) Uani 1 1 d D . . . .
C24 C 0.8350(4) 1.0273(4) 0.5501(4) 0.0458(10) Uani 1 1 d . . . . .
H24 H 0.830949 0.976795 0.576941 0.055 Uiso 1 1 calc R U . . .
C25 C 0.9382(4) 1.1016(4) 0.5825(4) 0.0451(10) Uani 1 1 d . . . . .
C30 C 0.9561(4) 1.1769(4) 0.5433(5) 0.0582(13) Uani 1 1 d . . . . .
C29 C 1.0609(5) 1.2419(5) 0.5777(6) 0.0754(18) Uani 1 1 d . . . . .
H29 H 1.074378 1.290968 0.550378 0.091 Uiso 1 1 calc R U . . .
C28 C 1.1427(5) 1.2349(5) 0.6494(5) 0.0673(15) Uani 1 1 d . . . . .
H28 H 1.211044 1.279720 0.671841 0.081 Uiso 1 1 calc R U . . .
C26 C 1.0247(4) 1.0949(4) 0.6561(4) 0.0506(11) Uani 1 1 d . . . . .
H26 H 1.013756 1.044696 0.682629 0.061 Uiso 1 1 calc R U . . .
C27 C 1.1248(4) 1.1614(5) 0.6892(4) 0.0576(13) Uani 1 1 d . . . . .
C16 C 0.1334(4) 0.6458(4) 0.2109(4) 0.0544(12) Uani 1 1 d . . . . .
C17 C 0.0284(4) 0.6188(5) 0.1444(5) 0.0650(15) Uani 1 1 d . . . . .
H17 H -0.019250 0.557948 0.133314 0.078 Uiso 1 1 calc R U . . .
Br3 Br 1.23801(5) 1.15244(7) 0.79152(6) 0.0854(2) Uani 1 1 d . . . . .
Cl1 Cl 0.67418(10) 0.86590(9) 0.64467(9) 0.0479(3) Uani 1 1 d . . . . .
Cl2 Cl 0.36955(9) 0.72767(9) 0.54117(10) 0.0487(3) Uani 1 1 d . . . . .
Br1 Br 0.73082(6) 0.42068(6) 0.02117(6) 0.0856(2) Uani 1 1 d . . . . .
C7 C 0.6699(4) 0.5214(4) 0.4120(4) 0.0496(11) Uani 1 1 d . . . . .
H7 H 0.711187 0.467355 0.406194 0.059 Uiso 1 1 calc R U . . .
N11 N 0.0027(5) 0.7340(5) -0.2454(5) 0.0868(17) Uani 1 1 d . . . . .
O6 O -0.0275(7) 0.5741(6) -0.2427(8) 0.174(4) Uani 1 1 d . . . . .
C33 C -0.0543(10) 0.6529(10) -0.2435(10) 0.145(4) Uani 1 1 d . . . . .
H33 H -0.128383 0.657437 -0.242643 0.174 Uiso 1 1 calc R U . . .
C32 C 0.1175(9) 0.7406(12) -0.2403(14) 0.189(6) Uani 1 1 d . . . . .
H32A H 0.146153 0.805654 -0.242618 0.283 Uiso 1 1 calc R U . . .
H32B H 0.153776 0.740990 -0.174313 0.283 Uiso 1 1 calc R U . . .
H32C H 0.130660 0.679690 -0.300312 0.283 Uiso 1 1 calc R U . . .
C31 C -0.0407(12) 0.8245(11) -0.2473(11) 0.185(6) Uani 1 1 d . . . . .
H31A H 0.017096 0.874131 -0.248527 0.277 Uiso 1 1 calc R U . . .
H31B H -0.098898 0.801100 -0.310437 0.277 Uiso 1 1 calc R U . . .
H31C H -0.069709 0.859462 -0.184182 0.277 Uiso 1 1 calc R U . . .
O5 O 0.0987(15) 0.5749(9) -0.5114(11) 0.295(8) Uani 1 1 d . . . . .
H2N H 0.684(5) 0.472(3) 0.554(5) 0.073(19) Uiso 1 1 d D . . . .
H2' H 0.557(5) 0.699(5) 0.912(3) 0.073(19) Uiso 1 1 d D . . . .
H5A H 0.629(6) 0.566(6) 0.800(6) 0.09(2) Uiso 1 1 d . . . . .
H5B H 0.697(6) 0.494(6) 0.731(6) 0.08(2) Uiso 1 1 d . . . . .
H10B H 0.592(3) 1.069(2) 0.392(4) 0.038(12) Uiso 1 1 d D . . . .
H7N H 0.505(4) 0.810(3) 0.393(4) 0.046(14) Uiso 1 1 d D . . . .
H10A H 0.481(2) 1.014(4) 0.340(4) 0.052(15) Uiso 1 1 d D . . . .
H3' H 0.107(5) 0.533(6) 0.251(7) 0.13(3) Uiso 1 1 d D . . . .
H8N H 0.669(5) 0.908(4) 0.493(4) 0.070(18) Uiso 1 1 d D . . . .
H4' H 0.811(4) 1.139(5) 0.448(7) 0.13(3) Uiso 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 '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 Zn1 N1 83.76(14) . . ?
O1 Zn1 N3 157.38(13) . . ?
N1 Zn1 N3 75.59(15) . . ?
O1 Zn1 Cl1 98.30(11) . . ?
N1 Zn1 Cl1 112.69(11) . . ?
N3 Zn1 Cl1 98.12(11) . . ?
O1 Zn1 Cl2 89.21(10) . . ?
N1 Zn1 Cl2 136.27(11) . . ?
N3 Zn1 Cl2 99.27(11) . . ?
Cl1 Zn1 Cl2 111.03(5) . . ?
C1 O1 Zn1 134.0(3) . . ?
C7 N1 N2 116.2(4) . . ?
C7 N1 Zn1 130.6(3) . . ?
N2 N1 Zn1 113.2(3) . . ?
C8 N2 N1 116.9(4) . . ?
C9 N4 N3 116.1(4) . . ?
C22 N6 N7 114.0(3) . . ?
C23 N7 N6 118.6(3) . . ?
C24 N9 N8 113.4(4) . . ?
C5 C4 C3 120.5(5) . . ?
C5 C4 Br1 120.2(4) . . ?
C3 C4 Br1 119.3(4) . . ?
C4 C5 C6 121.3(5) . . ?
C5 C6 C1 119.3(5) . . ?
C5 C6 C7 117.1(4) . . ?
C1 C6 C7 123.6(4) . . ?
O1 C1 C2 120.3(4) . . ?
O1 C1 C6 122.7(4) . . ?
C2 C1 C6 116.9(4) . . ?
C3 C2 C1 123.2(5) . . ?
C2 C3 C4 118.6(5) . . ?
N3 C8 N5 126.0(5) . . ?
N3 C8 N2 118.4(4) . . ?
N5 C8 N2 115.6(5) . . ?
C8 N3 N4 112.3(4) . . ?
C8 N3 Zn1 115.4(3) . . ?
N4 N3 Zn1 132.0(3) . . ?
N4 C9 C10 122.7(4) . . ?
C11 C10 C15 118.5(5) . . ?
C11 C10 C9 119.1(4) . . ?
C15 C10 C9 122.5(4) . . ?
O2 C15 C14 119.1(5) . . ?
O2 C15 C10 121.9(5) . . ?
C14 C15 C10 119.0(5) . . ?
C13 C14 C15 121.6(5) . . ?
C14 C13 C12 119.3(5) . . ?
C11 C12 C13 120.6(5) . . ?
C11 C12 Br2 119.7(4) . . ?
C13 C12 Br2 119.6(4) . . ?
C12 C11 C10 121.0(5) . . ?
C17 C18 C19 118.9(5) . . ?
C20 C19 C18 121.8(5) . . ?
C20 C19 Br4 118.4(4) . . ?
C18 C19 Br4 119.8(4) . . ?
C19 C20 C21 119.5(5) . . ?
C16 C21 C20 118.8(4) . . ?
C16 C21 C22 120.1(4) . . ?
C20 C21 C22 121.1(4) . . ?
N6 C22 C21 122.1(4) . . ?
N10 C23 N7 121.9(4) . . ?
N10 C23 N8 121.8(4) . . ?
N7 C23 N8 116.3(4) . . ?
C23 N8 N9 120.5(4) . . ?
N9 C24 C25 123.3(4) . . ?
C30 C25 C26 119.0(5) . . ?
C30 C25 C24 123.6(4) . . ?
C26 C25 C24 117.4(4) . . ?
O4 C30 C25 122.9(5) . . ?
O4 C30 C29 118.6(5) . . ?
C25 C30 C29 118.5(5) . . ?
C28 C29 C30 121.6(5) . . ?
C29 C28 C27 120.0(5) . . ?
C27 C26 C25 120.6(5) . . ?
C26 C27 C28 120.4(5) . . ?
C26 C27 Br3 119.2(4) . . ?
C28 C27 Br3 120.4(4) . . ?
O3 C16 C21 118.4(4) . . ?
O3 C16 C17 121.5(5) . . ?
C21 C16 C17 120.1(5) . . ?
C18 C17 C16 120.9(5) . . ?
N1 C7 C6 124.9(4) . . ?
C33 N11 C32 120.7(9) . . ?
C33 N11 C31 124.6(10) . . ?
C32 N11 C31 114.6(9) . . ?
O6 C33 N11 130.4(13) . . ?
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
Br2 C12 1.896(5) . ?
Zn1 O1 2.051(3) . ?
Zn1 N1 2.121(4) . ?
Zn1 N3 2.135(4) . ?
Zn1 Cl1 2.3101(12) . ?
Zn1 Cl2 2.3457(12) . ?
Br4 C19 1.901(5) . ?
O1 C1 1.314(6) . ?
O4 C30 1.336(6) . ?
O3 C16 1.352(6) . ?
N1 C7 1.286(6) . ?
N1 N2 1.389(5) . ?
N2 C8 1.357(7) . ?
N4 C9 1.275(6) . ?
N4 N3 1.396(5) . ?
O2 C15 1.345(6) . ?
N6 C22 1.276(6) . ?
N6 N7 1.392(5) . ?
N7 C23 1.324(6) . ?
N9 C24 1.289(6) . ?
N9 N8 1.379(5) . ?
N10 C23 1.319(6) . ?
C4 C5 1.371(8) . ?
C4 C3 1.387(8) . ?
C4 Br1 1.902(5) . ?
C5 C6 1.401(7) . ?
C6 C1 1.425(6) . ?
C6 C7 1.445(7) . ?
C1 C2 1.398(7) . ?
C2 C3 1.381(7) . ?
C8 N3 1.302(6) . ?
C8 N5 1.340(6) . ?
C9 C10 1.448(7) . ?
C10 C11 1.391(7) . ?
C10 C15 1.411(6) . ?
C15 C14 1.389(8) . ?
C14 C13 1.369(8) . ?
C13 C12 1.378(7) . ?
C12 C11 1.374(7) . ?
C18 C17 1.371(8) . ?
C18 C19 1.378(8) . ?
C19 C20 1.373(7) . ?
C20 C21 1.406(7) . ?
C21 C16 1.389(7) . ?
C21 C22 1.453(6) . ?
C23 N8 1.336(6) . ?
C24 C25 1.450(6) . ?
C25 C30 1.394(7) . ?
C25 C26 1.403(7) . ?
C30 C29 1.403(8) . ?
C29 C28 1.351(8) . ?
C28 C27 1.376(8) . ?
C26 C27 1.368(7) . ?
C27 Br3 1.895(5) . ?
C16 C17 1.392(7) . ?
N11 C33 1.293(11) . ?
N11 C32 1.410(12) . ?
N11 C31 1.423(11) . ?
O6 C33 1.178(13) . ?
