#------------------------------------------------------------------------------
#$Date: 2024-09-06 02:15:31 +0200 (Fri 06 de Sep de 2024) $
#$Revision: 294516 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/90/7249061.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_7249061
loop_
_publ_author_name
'Bondarenko, Mikhail A.'
'Novikov, Alexander S.'
'Abramov, Pavel A.'
'Sokolov, Maxim N.'
'Adonin, Sergey A.'
_publ_section_title
;
 Crystalline products of bromoantimonate(iii) oxidation by Br2 in the
 presence of different cations: diversity of structural types and patterns
 of halogen bond systems
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              4518
_journal_page_last               4524
_journal_paper_doi               10.1039/D4CE00207E
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C28 H36 Br15 N4 Sb3'
_chemical_formula_weight         1992.51
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-02-21 deposited with the CCDC.	2024-07-09 downloaded from the CCDC.
;
_cell_angle_alpha                114.223(2)
_cell_angle_beta                 95.122(2)
_cell_angle_gamma                106.738(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2062(2)
_cell_length_b                   15.7756(3)
_cell_length_c                   16.4774(3)
_cell_measurement_reflns_used    7203
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      28.8750
_cell_measurement_theta_min      3.6550
_cell_volume                     2471.12(10)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      140(2)
_diffrn_detector_area_resol_mean 10.6168
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.818
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.818
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18520
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.818
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.980
_diffrn_reflns_theta_min         3.616
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    13.782
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.678
_exptl_crystal_description       block
_exptl_crystal_F_000             1820
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.182
_refine_diff_density_min         -1.372
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         10747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0337
_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)+(0.0198P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0651
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8818
_reflns_number_total             10747
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00207e2.cif
_cod_data_source_block           MP34red_a
_cod_depositor_comments
'Adding full bibliography for 7249056--7249061.cif.'
_cod_original_cell_volume        2471.12(9)
_cod_database_code               7249061
_shelx_shelxl_version_number     2014/7
_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   0.160
_shelx_estimated_absorpt_t_max   0.312
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
C1 C -0.4092(6) 0.1712(4) 0.9908(4) 0.0357(15) Uani 1 1 d . . . . .
H1A H -0.3864 0.2426 1.0305 0.054 Uiso 1 1 calc R U . . .
H1B H -0.3613 0.1442 1.0203 0.054 Uiso 1 1 calc R U . . .
H1C H -0.5014 0.1371 0.9806 0.054 Uiso 1 1 calc R U . . .
C2 C -0.3767(5) 0.1557(4) 0.9019(4) 0.0206(12) Uani 1 1 d . . . . .
C3 C -0.4046(5) 0.2079(4) 0.8564(3) 0.0208(12) Uani 1 1 d . . . . .
H3 H -0.4405 0.2574 0.8844 0.025 Uiso 1 1 calc R U . . .
C4 C -0.3806(4) 0.1882(3) 0.7716(3) 0.0165(11) Uani 1 1 d . . . . .
H4 H -0.4006 0.2237 0.7410 0.020 Uiso 1 1 calc R U . . .
C5 C -0.2955(4) 0.0691(3) 0.7752(3) 0.0162(11) Uani 1 1 d . . . . .
H5 H -0.2559 0.0221 0.7475 0.019 Uiso 1 1 calc R U . . .
C6 C -0.3193(5) 0.0872(3) 0.8594(3) 0.0188(12) Uani 1 1 d . . . . .
H6 H -0.2961 0.0523 0.8896 0.023 Uiso 1 1 calc R U . . .
C7 C -0.3118(4) 0.0914(4) 0.6366(3) 0.0185(11) Uani 1 1 d . . . . .
H7A H -0.3784 0.1027 0.6029 0.022 Uiso 1 1 calc R U . . .
H7B H -0.3250 0.0197 0.6050 0.022 Uiso 1 1 calc R U . . .
C8 C -0.1803(4) 0.1509(3) 0.6333(3) 0.0164(11) Uani 1 1 d . . . . .
H8A H -0.1783 0.1348 0.5688 0.020 Uiso 1 1 calc R U . . .
H8B H -0.1650 0.2229 0.6670 0.020 Uiso 1 1 calc R U . . .
C9 C -0.0628(4) 0.0411(3) 0.6277(3) 0.0165(11) Uani 1 1 d . . . . .
H9 H -0.1203 -0.0065 0.5704 0.020 Uiso 1 1 calc R U . . .
C10 C 0.0342(5) 0.0197(4) 0.6628(4) 0.0207(12) Uani 1 1 d . . . . .
H10 H 0.0428 -0.0428 0.6297 0.025 Uiso 1 1 calc R U . . .
C11 C 0.1191(5) 0.0883(4) 0.7458(4) 0.0190(11) Uani 1 1 d . . . . .
C12 C 0.2273(5) 0.0688(4) 0.7854(4) 0.0267(13) Uani 1 1 d . . . . .
H12A H 0.2076 -0.0032 0.7593 0.040 Uiso 1 1 calc R U . . .
H12B H 0.2391 0.0971 0.8520 0.040 Uiso 1 1 calc R U . . .
H12C H 0.3061 0.0996 0.7708 0.040 Uiso 1 1 calc R U . . .
C13 C 0.1007(5) 0.1787(4) 0.7922(4) 0.0218(12) Uani 1 1 d . . . . .
H13 H 0.1567 0.2275 0.8498 0.026 Uiso 1 1 calc R U . . .
C14 C 0.0036(4) 0.1974(3) 0.7557(3) 0.0191(11) Uani 1 1 d . . . . .
H14 H -0.0078 0.2590 0.7879 0.023 Uiso 1 1 calc R U . . .
C15 C 0.5839(6) 0.6535(5) 0.9696(4) 0.0389(16) Uani 1 1 d . . . . .
H15A H 0.6088 0.6075 0.9871 0.058 Uiso 1 1 calc R U . . .
H15B H 0.4911 0.6376 0.9619 0.058 Uiso 1 1 calc R U . . .
H15C H 0.6291 0.7219 1.0175 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6185(5) 0.6434(4) 0.8818(4) 0.0220(12) Uani 1 1 d . . . . .
C17 C 0.6673(5) 0.5716(3) 0.8336(4) 0.0210(12) Uani 1 1 d . . . . .
H17 H 0.6832 0.5299 0.8582 0.025 Uiso 1 1 calc R U . . .
C18 C 0.6022(5) 0.7052(4) 0.8439(4) 0.0255(13) Uani 1 1 d . . . . .
H18 H 0.5715 0.7568 0.8761 0.031 Uiso 1 1 calc R U . . .
C19 C 0.6294(5) 0.6930(3) 0.7620(4) 0.0194(12) Uani 1 1 d . . . . .
H19 H 0.6170 0.7356 0.7373 0.023 Uiso 1 1 calc R U . . .
C20 C 0.6930(5) 0.5599(3) 0.7505(4) 0.0208(12) Uani 1 1 d . . . . .
H20 H 0.7243 0.5090 0.7174 0.025 Uiso 1 1 calc R U . . .
C21 C 0.6919(5) 0.6011(4) 0.6229(3) 0.0202(12) Uani 1 1 d . . . . .
H21A H 0.6291 0.6188 0.5930 0.024 Uiso 1 1 calc R U . . .
H21B H 0.6740 0.5291 0.5862 0.024 Uiso 1 1 calc R U . . .
C22 C 0.8265(4) 0.6593(4) 0.6232(4) 0.0236(12) Uani 1 1 d . . . . .
H22A H 0.8306 0.6470 0.5597 0.028 Uiso 1 1 calc R U . . .
H22B H 0.8449 0.7314 0.6602 0.028 Uiso 1 1 calc R U . . .
C23 C 0.9311(5) 0.5401(4) 0.6150(4) 0.0243(12) Uani 1 1 d . . . . .
H23 H 0.8708 0.4938 0.5585 0.029 Uiso 1 1 calc R U . . .
C24 C 1.0215(5) 0.5134(4) 0.6487(4) 0.0274(13) Uani 1 1 d . . . . .
H24 H 1.0240 0.4487 0.6154 0.033 Uiso 1 1 calc R U . . .
C25 C 1.0106(5) 0.6975(4) 0.7413(4) 0.0243(12) Uani 1 1 d . . . . .
H25 H 1.0062 0.7618 0.7734 0.029 Uiso 1 1 calc R U . . .
C26 C 1.1012(5) 0.6731(4) 0.7764(4) 0.0269(13) Uani 1 1 d . . . . .
H26 H 1.1602 0.7207 0.8331 0.032 Uiso 1 1 calc R U . . .
C27 C 1.1100(5) 0.5798(4) 0.7312(4) 0.0243(12) Uani 1 1 d . . . . .
C28 C 1.2116(5) 0.5521(5) 0.7690(4) 0.0409(16) Uani 1 1 d . . . . .
H28A H 1.1851 0.4795 0.7414 0.061 Uiso 1 1 calc R U . . .
H28B H 1.2234 0.5794 0.8356 0.061 Uiso 1 1 calc R U . . .
H28C H 1.2925 0.5795 0.7548 0.061 Uiso 1 1 calc R U . . .
N1 N -0.3281(3) 0.1180(3) 0.7309(3) 0.0132(9) Uani 1 1 d . . . . .
N2 N -0.0768(3) 0.1289(3) 0.6740(3) 0.0133(9) Uani 1 1 d . . . . .
N3 N 0.6740(4) 0.6203(3) 0.7154(3) 0.0148(9) Uani 1 1 d . . . . .
N4 N 0.9261(4) 0.6313(3) 0.6609(3) 0.0181(9) Uani 1 1 d . . . . .
Br1 Br -0.10913(5) 0.42479(4) 0.83007(3) 0.02376(13) Uani 1 1 d . . . . .
Br2 Br -0.06940(6) 0.32933(4) 0.99260(4) 0.03088(15) Uani 1 1 d . . . . .
Br3 Br 0.20746(5) 0.47846(4) 0.95809(4) 0.03194(14) Uani 1 1 d . . . . .
Br4 Br 0.20730(5) -0.02003(5) 0.95716(4) 0.03515(15) Uani 1 1 d . . . . .
Br5 Br 0.07138(6) 0.17424(4) 1.01534(4) 0.03221(15) Uani 1 1 d . . . . .
Br6 Br 0.10591(5) 0.06907(4) 1.16940(3) 0.02457(13) Uani 1 1 d . . . . .
Br7 Br 0.39525(5) 0.43256(3) 0.60277(3) 0.01976(12) Uani 1 1 d . . . . .
Br8 Br 0.12685(5) 0.21400(4) 0.56651(4) 0.02199(12) Uani 1 1 d . . . . .
Br9 Br 0.34533(5) 0.06362(3) 0.58810(3) 0.02002(12) Uani 1 1 d . . . . .
Br10 Br 0.40742(5) 0.33669(4) 0.77824(3) 0.02210(12) Uani 1 1 d . . . . .
Br11 Br 0.34205(5) 0.17401(3) 0.39019(3) 0.01755(11) Uani 1 1 d . . . . .
Br12 Br 0.67124(5) 0.30700(3) 0.60179(3) 0.01839(11) Uani 1 1 d . . . . .
Br13 Br 0.87348(5) 0.23412(4) 0.42706(4) 0.02484(13) Uani 1 1 d . . . . .
Br14 Br 0.65371(5) 0.36618(3) 0.40526(3) 0.01937(12) Uani 1 1 d . . . . .
Br15 Br 0.59664(5) 0.12427(4) 0.21972(4) 0.03018(14) Uani 1 1 d . . . . .
Sb1 Sb 0.0000 0.5000 1.0000 0.01580(11) Uani 1 2 d S . P . .
Sb2 Sb 0.0000 0.0000 1.0000 0.01583(11) Uani 1 2 d S . P . .
Sb3 Sb 0.62887(3) 0.19926(2) 0.39952(2) 0.01525(8) Uani 1 1 d . . . . .
Sb4 Sb 0.37196(3) 0.25721(2) 0.59845(2) 0.01326(8) 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 0.0033 0.0016 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C6 C2 C3 117.3(5) . . ?
C6 C2 C1 121.2(4) . . ?
C3 C2 C1 121.5(5) . . ?
C4 C3 C2 120.4(5) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
N1 C4 C3 120.5(4) . . ?
N1 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C6 120.3(4) . . ?
N1 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C2 121.2(4) . . ?
C5 C6 H6 119.4 . . ?
C2 C6 H6 119.4 . . ?
N1 C7 C8 113.1(4) . . ?
N1 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
N1 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
N2 C8 C7 111.6(4) . . ?
N2 C8 H8A 109.3 . . ?
C7 C8 H8A 109.3 . . ?
N2 C8 H8B 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
N2 C9 C10 120.5(5) . . ?
N2 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C11 120.6(5) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C13 117.2(4) . . ?
C10 C11 C12 122.2(5) . . ?
C13 C11 C12 120.6(5) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C11 120.7(5) . . ?
C14 C13 H13 119.6 . . ?
C11 C13 H13 119.6 . . ?
N2 C14 C13 120.4(4) . . ?
N2 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 117.0(5) . . ?
C17 C16 C15 121.2(5) . . ?
C18 C16 C15 121.8(5) . . ?
C20 C17 C16 120.6(5) . . ?
C20 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C16 121.4(5) . . ?
C19 C18 H18 119.3 . . ?
C16 C18 H18 119.3 . . ?
N3 C19 C18 120.1(5) . . ?
N3 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
N3 C20 C17 120.5(5) . . ?
N3 C20 H20 119.7 . . ?
C17 C20 H20 119.7 . . ?
N3 C21 C22 113.0(4) . . ?
N3 C21 H21A 109.0 . . ?
C22 C21 H21A 109.0 . . ?
N3 C21 H21B 109.0 . . ?
C22 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
N4 C22 C21 112.3(4) . . ?
N4 C22 H22A 109.2 . . ?
C21 C22 H22A 109.2 . . ?
N4 C22 H22B 109.2 . . ?
C21 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
N4 C23 C24 120.7(5) . . ?
N4 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C27 120.5(5) . . ?
C23 C24 H24 119.8 . . ?
C27 C24 H24 119.8 . . ?
N4 C25 C26 120.3(5) . . ?
N4 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C27 121.3(5) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C24 C27 C26 116.9(4) . . ?
C24 C27 C28 121.3(5) . . ?
C26 C27 C28 121.8(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C5 N1 C4 120.2(4) . . ?
C5 N1 C7 119.5(4) . . ?
C4 N1 C7 120.3(4) . . ?
C9 N2 C14 120.7(4) . . ?
C9 N2 C8 119.2(4) . . ?
C14 N2 C8 120.1(4) . . ?
C19 N3 C20 120.2(5) . . ?
C19 N3 C21 120.1(4) . . ?
C20 N3 C21 119.5(4) . . ?
C23 N4 C25 120.3(4) . . ?
C23 N4 C22 120.0(4) . . ?
C25 N4 C22 119.7(4) . . ?
Br2 Sb1 Br2 180.0 . 2_567 ?
Br2 Sb1 Br3 88.979(19) . . ?
Br2 Sb1 Br3 91.02(2) 2_567 . ?
Br2 Sb1 Br3 91.02(2) . 2_567 ?
Br2 Sb1 Br3 88.98(2) 2_567 2_567 ?
Br3 Sb1 Br3 180.0 . 2_567 ?
Br2 Sb1 Br1 89.227(17) . 2_567 ?
Br2 Sb1 Br1 90.774(17) 2_567 2_567 ?
Br3 Sb1 Br1 89.541(18) . 2_567 ?
Br3 Sb1 Br1 90.460(18) 2_567 2_567 ?
Br2 Sb1 Br1 90.772(17) . . ?
Br2 Sb1 Br1 89.227(17) 2_567 . ?
Br3 Sb1 Br1 90.459(18) . . ?
Br3 Sb1 Br1 89.541(18) 2_567 . ?
Br1 Sb1 Br1 180.0 2_567 . ?
Br5 Sb2 Br5 180.0 . 2_557 ?
Br5 Sb2 Br4 91.14(2) . . ?
Br5 Sb2 Br4 88.86(2) 2_557 . ?
Br5 Sb2 Br4 88.86(2) . 2_557 ?
Br5 Sb2 Br4 91.14(2) 2_557 2_557 ?
Br4 Sb2 Br4 180.0 . 2_557 ?
Br5 Sb2 Br6 89.756(17) . 2_557 ?
Br5 Sb2 Br6 90.244(17) 2_557 2_557 ?
Br4 Sb2 Br6 89.952(18) . 2_557 ?
Br4 Sb2 Br6 90.048(18) 2_557 2_557 ?
Br5 Sb2 Br6 90.243(17) . . ?
Br5 Sb2 Br6 89.756(17) 2_557 . ?
Br4 Sb2 Br6 90.048(18) . . ?
Br4 Sb2 Br6 89.952(18) 2_557 . ?
Br6 Sb2 Br6 180.0 2_557 . ?
Br14 Sb3 Br13 93.630(19) . . ?
Br14 Sb3 Br15 88.319(19) . . ?
Br13 Sb3 Br15 93.05(2) . . ?
Br14 Sb3 Br12 84.861(17) . . ?
Br13 Sb3 Br12 86.814(18) . . ?
Br15 Sb3 Br12 173.155(19) . . ?
Br8 Sb4 Br10 94.98(2) . . ?
Br8 Sb4 Br7 87.952(17) . . ?
Br10 Sb4 Br7 90.798(18) . . ?
Br8 Sb4 Br9 91.876(17) . . ?
Br10 Sb4 Br9 90.827(17) . . ?
Br7 Sb4 Br9 178.37(2) . . ?
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
C1 C2 1.481(8) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C6 1.391(7) . ?
C2 C3 1.396(6) . ?
C3 C4 1.372(7) . ?
C3 H3 0.9500 . ?
C4 N1 1.363(6) . ?
C4 H4 0.9500 . ?
C5 N1 1.356(5) . ?
C5 C6 1.365(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 N1 1.477(6) . ?
C7 C8 1.522(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N2 1.482(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 N2 1.343(6) . ?
C9 C10 1.375(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(7) . ?
C10 H10 0.9500 . ?
C11 C13 1.401(7) . ?
C11 C12 1.492(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.359(6) . ?
C13 H13 0.9500 . ?
C14 N2 1.350(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.488(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.382(7) . ?
C16 C18 1.398(7) . ?
C17 C20 1.373(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.359(7) . ?
C18 H18 0.9500 . ?
C19 N3 1.352(6) . ?
C19 H19 0.9500 . ?
C20 N3 1.356(6) . ?
C20 H20 0.9500 . ?
C21 N3 1.471(6) . ?
C21 C22 1.523(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 N4 1.488(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 N4 1.344(6) . ?
C23 C24 1.360(6) . ?
C23 H23 0.9500 . ?
C24 C27 1.387(7) . ?
C24 H24 0.9500 . ?
C25 N4 1.347(6) . ?
C25 C26 1.348(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.502(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
Br1 Sb1 2.5632(5) . ?
Br2 Sb1 2.5251(5) . ?
Br3 Sb1 2.5586(6) . ?
Br4 Sb2 2.5549(6) . ?
Br5 Sb2 2.5271(5) . ?
Br6 Sb2 2.5603(5) . ?
Br7 Sb4 2.6729(5) . ?
Br8 Sb4 2.5798(6) . ?
Br9 Sb4 2.9127(5) . ?
Br10 Sb4 2.6384(6) . ?
Br12 Sb3 2.9710(6) . ?
Br13 Sb3 2.5937(6) . ?
Br14 Sb3 2.5277(5) . ?
Br15 Sb3 2.6447(6) . ?
Sb1 Br2 2.5251(5) 2_567 ?
Sb1 Br3 2.5586(6) 2_567 ?
Sb1 Br1 2.5632(5) 2_567 ?
Sb2 Br5 2.5272(5) 2_557 ?
Sb2 Br4 2.5550(6) 2_557 ?
Sb2 Br6 2.5603(5) 2_557 ?
