#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:45:27 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180447 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/16/7211659.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_7211659
loop_
_publ_author_name
'Li, Cheng-Peng'
'Yu, Qian'
'Zhang, Zhi-Hui'
'Du, Miao'
_publ_section_title
;
 Multifarious ZnII and CdII coordination frameworks constructed by a
 versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various
 benzenedicarboxyl ligands
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              834
_journal_paper_doi               10.1039/b912001g
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C48 H28 Br12 Cd N4 O14'
_chemical_formula_weight         1956.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.2570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1883(4)
_cell_length_b                   13.9263(7)
_cell_length_c                   21.9249(10)
_cell_measurement_reflns_used    6026
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.70
_cell_measurement_theta_min      2.38
_cell_volume                     2783.0(2)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            13818
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    9.075
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.650874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.864
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         4876
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0474P)²+8.4816P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                3954
_reflns_number_total             4876
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912001g.txt
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7211659
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.0000 0.0000 1.0000 0.02640(14) Uani 1 2 d S
Br1 Br -0.45280(6) 0.13873(5) 0.84972(2) 0.04075(16) Uani 1 1 d .
Br2 Br -0.55928(6) 0.15123(5) 0.69924(3) 0.04571(18) Uani 1 1 d .
Br3 Br 0.03036(7) 0.13544(5) 0.65496(3) 0.04530(18) Uani 1 1 d .
Br4 Br 0.13731(7) 0.12918(6) 0.80496(3) 0.0573(2) Uani 1 1 d .
Br5 Br 0.23277(7) 0.65410(5) 0.96586(3) 0.05231(19) Uani 1 1 d .
Br6 Br 0.56860(8) 0.72722(5) 1.02446(3) 0.0562(2) Uani 1 1 d .
O1 O -0.0765(6) 0.1948(3) 0.91207(18) 0.0580(13) Uani 1 1 d .
O2 O -0.1227(4) 0.0375(3) 0.90592(15) 0.0345(9) Uani 1 1 d .
O3 O -0.3201(5) 0.0906(3) 0.58762(16) 0.0426(10) Uani 1 1 d .
O4 O -0.3191(5) 0.2493(3) 0.60502(17) 0.0505(11) Uani 1 1 d .
O5 O 0.1175(4) 0.4063(4) 0.97545(18) 0.0517(12) Uani 1 1 d .
H5A H 0.1509 0.4106 1.0118 0.078 Uiso 1 1 calc R
O6 O 0.1958(5) 0.4326(4) 0.88534(18) 0.0554(12) Uani 1 1 d .
O7 O 0.1398(5) 0.1393(3) 1.00096(17) 0.0418(10) Uani 1 1 d .
H7A H 0.1557 0.1608 1.0375 0.063 Uiso 1 1 d R
H7B H 0.0984 0.1770 0.9736 0.063 Uiso 1 1 d R
N1 N 0.1725(5) -0.0738(3) 0.9445(2) 0.0349(10) Uani 1 1 d .
N2 N 0.5787(5) -0.1075(3) 0.6703(2) 0.0372(11) Uani 1 1 d .
H2A H 0.4875 -0.1045 0.6557 0.045 Uiso 1 1 calc R
C1 C 0.3908(6) -0.1052(4) 0.8684(3) 0.0358(13) Uani 1 1 d .
C2 C 0.4246(7) -0.0838(5) 0.9303(3) 0.0443(15) Uani 1 1 d .
H2 H 0.5220 -0.0794 0.9477 0.053 Uiso 1 1 calc R
C3 C 0.3137(7) -0.0691(5) 0.9658(3) 0.0463(15) Uani 1 1 d .
H3 H 0.3393 -0.0550 1.0073 0.056 Uiso 1 1 calc R
C4 C 0.1388(7) -0.1009(5) 0.8858(3) 0.0441(15) Uani 1 1 d .
H4 H 0.0405 -0.1089 0.8703 0.053 Uiso 1 1 calc R
C5 C 0.2444(7) -0.1174(5) 0.8472(3) 0.0470(16) Uani 1 1 d .
H5 H 0.2163 -0.1368 0.8068 0.056 Uiso 1 1 calc R
C6 C 0.5090(7) -0.1123(4) 0.8292(3) 0.0406(14) Uani 1 1 d .
H6 H 0.6041 -0.1203 0.8487 0.049 Uiso 1 1 calc R
C7 C 0.4913(6) -0.1082(4) 0.7686(3) 0.0385(13) Uani 1 1 d .
H7 H 0.3964 -0.1038 0.7483 0.046 Uiso 1 1 calc R
C8 C 0.6135(6) -0.1100(4) 0.7318(2) 0.0340(12) Uani 1 1 d .
C9 C 0.6759(7) -0.1093(4) 0.6313(3) 0.0423(14) Uani 1 1 d .
H9 H 0.6450 -0.1081 0.5892 0.051 Uiso 1 1 calc R
C10 C 0.8249(8) -0.1128(5) 0.6526(3) 0.0491(16) Uani 1 1 d .
H10 H 0.8953 -0.1146 0.6256 0.059 Uiso 1 1 calc R
C11 C 0.8635(7) -0.1137(5) 0.7150(3) 0.0496(16) Uani 1 1 d .
H11 H 0.9623 -0.1145 0.7308 0.059 Uiso 1 1 calc R
C12 C 0.7594(7) -0.1135(4) 0.7549(3) 0.0412(14) Uani 1 1 d .
H12 H 0.7876 -0.1156 0.7971 0.049 Uiso 1 1 calc R
C13 C -0.1169(6) 0.1209(4) 0.8846(2) 0.0326(12) Uani 1 1 d .
C14 C -0.1670(6) 0.1302(4) 0.8157(2) 0.0250(11) Uani 1 1 d .
C15 C -0.3147(6) 0.1354(4) 0.7931(2) 0.0266(11) Uani 1 1 d .
C16 C -0.3598(6) 0.1439(4) 0.7300(2) 0.0259(11) Uani 1 1 d .
C17 C -0.2551(6) 0.1467(3) 0.6890(2) 0.0255(11) Uani 1 1 d .
C18 C -0.3027(6) 0.1656(4) 0.6206(2) 0.0316(12) Uani 1 1 d .
C19 C -0.1083(6) 0.1389(4) 0.7115(2) 0.0262(11) Uani 1 1 d .
C20 C -0.0646(6) 0.1323(4) 0.7740(2) 0.0308(12) Uani 1 1 d .
C21 C 0.2136(6) 0.4341(5) 0.9422(2) 0.0405(14) Uani 1 1 d .
C22 C 0.3601(6) 0.4682(4) 0.9740(2) 0.0341(13) Uani 1 1 d .
C23 C 0.3879(6) 0.5651(4) 0.9857(2) 0.0355(13) Uani 1 1 d .
C24 C 0.5269(6) 0.5956(4) 1.0111(2) 0.0338(12) 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'
H H 0.0000 0.0000 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
O2 Cd1 O2 180.000(1) 3_557 .
O2 Cd1 O7 91.53(14) 3_557 3_557
O2 Cd1 O7 88.47(14) . 3_557
O2 Cd1 O7 88.47(14) 3_557 .
O2 Cd1 O7 91.53(14) . .
O7 Cd1 O7 180.00(19) 3_557 .
O2 Cd1 N1 94.55(15) 3_557 .
O2 Cd1 N1 85.45(15) . .
O7 Cd1 N1 92.19(15) 3_557 .
O7 Cd1 N1 87.81(15) . .
O2 Cd1 N1 85.45(15) 3_557 3_557
O2 Cd1 N1 94.55(15) . 3_557
O7 Cd1 N1 87.81(15) 3_557 3_557
O7 Cd1 N1 92.19(15) . 3_557
N1 Cd1 N1 180.00(17) . 3_557
C13 O2 Cd1 120.6(3) . .
C21 O5 H5A 109.5 . .
Cd1 O7 H7A 109.4 . .
Cd1 O7 H7B 108.2 . .
H7A O7 H7B 117.1 . .
C3 N1 C4 116.8(5) . .
C3 N1 Cd1 119.3(4) . .
C4 N1 Cd1 122.1(4) . .
C9 N2 C8 123.9(5) . .
C9 N2 H2A 118.0 . .
C8 N2 H2A 118.0 . .
C2 C1 C5 116.5(5) . .
C2 C1 C6 119.7(5) . .
C5 C1 C6 123.8(5) . .
C1 C2 C3 119.8(6) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
N1 C3 C2 123.7(5) . .
N1 C3 H3 118.1 . .
C2 C3 H3 118.1 . .
N1 C4 C5 122.6(6) . .
N1 C4 H4 118.7 . .
C5 C4 H4 118.7 . .
C1 C5 C4 120.2(5) . .
C1 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C7 C6 C1 125.4(6) . .
C7 C6 H6 117.3 . .
C1 C6 H6 117.3 . .
C6 C7 C8 123.3(6) . .
C6 C7 H7 118.4 . .
C8 C7 H7 118.4 . .
N2 C8 C12 117.8(5) . .
N2 C8 C7 116.7(5) . .
C12 C8 C7 125.4(5) . .
N2 C9 C10 120.2(6) . .
N2 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C11 C10 C9 117.1(6) . .
C11 C10 H10 121.4 . .
C9 C10 H10 121.4 . .
C12 C11 C10 121.5(6) . .
C12 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
C11 C12 C8 119.4(6) . .
C11 C12 H12 120.3 . .
C8 C12 H12 120.3 . .
O1 C13 O2 128.2(5) . .
O1 C13 C14 116.7(5) . .
O2 C13 C14 115.1(5) . .
C15 C14 C20 118.4(4) . .
C15 C14 C13 121.1(4) . .
C20 C14 C13 120.5(5) . .
C14 C15 C16 120.8(4) . .
C14 C15 Br1 118.5(4) . .
C16 C15 Br1 120.6(4) . .
C15 C16 C17 119.8(5) . .
C15 C16 Br2 121.0(4) . .
C17 C16 Br2 119.2(4) . .
C19 C17 C16 119.2(4) . .
C19 C17 C18 120.6(4) . .
C16 C17 C18 120.0(5) . .
O4 C18 O3 128.7(5) . .
O4 C18 C17 116.7(5) . .
O3 C18 C17 114.6(5) . .
C20 C19 C17 120.6(4) . .
C20 C19 Br3 121.0(4) . .
C17 C19 Br3 118.4(4) . .
C19 C20 C14 121.2(5) . .
C19 C20 Br4 120.4(4) . .
C14 C20 Br4 118.5(4) . .
O6 C21 O5 123.9(5) . .
O6 C21 C22 117.8(5) . .
O5 C21 C22 118.2(5) . .
C24 C22 C23 117.9(5) 3_667 .
C24 C22 C21 120.5(5) 3_667 .
C23 C22 C21 121.5(5) . .
C24 C23 C22 120.4(5) . .
C24 C23 Br5 121.1(5) . .
C22 C23 Br5 118.5(4) . .
C22 C24 C23 121.6(5) 3_667 .
C22 C24 Br6 117.3(4) 3_667 .
C23 C24 Br6 121.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O2 2.283(3) 3_557
Cd1 O2 2.283(3) .
Cd1 O7 2.325(4) 3_557
Cd1 O7 2.325(4) .
Cd1 N1 2.353(4) .
Cd1 N1 2.353(4) 3_557
Br1 C15 1.884(5) .
Br2 C16 1.874(5) .
Br3 C19 1.888(5) .
Br4 C20 1.894(5) .
Br5 C23 1.897(6) .
Br6 C24 1.888(6) .
O1 C13 1.226(7) .
O2 C13 1.256(7) .
O3 C18 1.269(7) .
O4 C18 1.218(7) .
O5 C21 1.274(7) .
O5 H5A 0.8200 .
O6 C21 1.237(6) .
O7 H7A 0.8500 .
O7 H7B 0.8500 .
N1 C3 1.324(7) .
N1 C4 1.340(7) .
N2 C9 1.313(7) .
N2 C8 1.347(7) .
N2 H2A 0.8600 .
C1 C2 1.385(8) .
C1 C5 1.378(8) .
C1 C6 1.471(8) .
C2 C3 1.375(8) .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 C5 1.385(8) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.319(8) .
C6 H6 0.9300 .
C7 C8 1.463(8) .
C7 H7 0.9300 .
C8 C12 1.373(8) .
C9 C10 1.390(9) .
C9 H9 0.9300 .
C10 C11 1.371(9) .
C10 H10 0.9300 .
C11 C12 1.374(8) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.528(7) .
C14 C15 1.387(7) .
C14 C20 1.392(7) .
C15 C16 1.399(7) .
C16 C17 1.398(7) .
C17 C19 1.382(7) .
C17 C18 1.530(7) .
C19 C20 1.381(7) .
C21 C22 1.512(8) .
C22 C24 1.374(8) 3_667
C22 C23 1.391(8) .
C23 C24 1.394(8) .
C24 C22 1.374(8) 3_667
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_4
O7 Cd1 O2 C13 164.9(4) 3_557 .
O7 Cd1 O2 C13 -15.1(4) . .
N1 Cd1 O2 C13 -102.7(4) . .
N1 Cd1 O2 C13 77.3(4) 3_557 .
O2 Cd1 N1 C3 -36.7(5) 3_557 .
O2 Cd1 N1 C3 143.3(5) . .
O7 Cd1 N1 C3 -128.4(4) 3_557 .
O7 Cd1 N1 C3 51.6(4) . .
O2 Cd1 N1 C4 159.2(5) 3_557 .
O2 Cd1 N1 C4 -20.8(5) . .
O7 Cd1 N1 C4 67.5(5) 3_557 .
O7 Cd1 N1 C4 -112.5(5) . .
C5 C1 C2 C3 -4.6(9) . .
C6 C1 C2 C3 174.4(6) . .
C4 N1 C3 C2 4.6(10) . .
Cd1 N1 C3 C2 -160.3(5) . .
C1 C2 C3 N1 -0.2(11) . .
C3 N1 C4 C5 -4.1(9) . .
Cd1 N1 C4 C5 160.3(5) . .
C2 C1 C5 C4 5.0(10) . .
C6 C1 C5 C4 -174.0(6) . .
N1 C4 C5 C1 -0.7(11) . .
C2 C1 C6 C7 -162.0(6) . .
C5 C1 C6 C7 16.9(10) . .
C1 C6 C7 C8 176.4(6) . .
C9 N2 C8 C12 0.9(9) . .
C9 N2 C8 C7 -179.6(5) . .
C6 C7 C8 N2 178.5(6) . .
C6 C7 C8 C12 -2.0(10) . .
C8 N2 C9 C10 -0.8(9) . .
N2 C9 C10 C11 -0.4(10) . .
C9 C10 C11 C12 1.6(10) . .
C10 C11 C12 C8 -1.5(10) . .
N2 C8 C12 C11 0.3(9) . .
C7 C8 C12 C11 -179.2(6) . .
Cd1 O2 C13 O1 -16.0(8) . .
Cd1 O2 C13 C14 164.0(3) . .
O1 C13 C14 C15 -99.2(6) . .
O2 C13 C14 C15 80.8(6) . .
O1 C13 C14 C20 81.7(7) . .
O2 C13 C14 C20 -98.3(6) . .
C20 C14 C15 C16 -0.9(8) . .
C13 C14 C15 C16 179.9(5) . .
C20 C14 C15 Br1 -177.0(4) . .
C13 C14 C15 Br1 3.9(7) . .
C14 C15 C16 C17 0.5(8) . .
Br1 C15 C16 C17 176.4(4) . .
C14 C15 C16 Br2 -179.9(4) . .
Br1 C15 C16 Br2 -3.9(6) . .
C15 C16 C17 C19 1.3(7) . .
Br2 C16 C17 C19 -178.4(4) . .
C15 C16 C17 C18 -174.2(5) . .
Br2 C16 C17 C18 6.2(7) . .
C19 C17 C18 O4 -92.0(6) . .
C16 C17 C18 O4 83.3(7) . .
C19 C17 C18 O3 88.2(6) . .
C16 C17 C18 O3 -96.5(6) . .
C16 C17 C19 C20 -2.6(8) . .
C18 C17 C19 C20 172.8(5) . .
C16 C17 C19 Br3 176.5(4) . .
C18 C17 C19 Br3 -8.1(7) . .
C17 C19 C20 C14 2.2(8) . .
Br3 C19 C20 C14 -176.9(4) . .
C17 C19 C20 Br4 -176.3(4) . .
Br3 C19 C20 Br4 4.7(6) . .
C15 C14 C20 C19 -0.4(8) . .
C13 C14 C20 C19 178.8(5) . .
C15 C14 C20 Br4 178.1(4) . .
C13 C14 C20 Br4 -2.7(7) . .
O6 C21 C22 C24 -89.5(7) . 3_667
O5 C21 C22 C24 88.8(7) . 3_667
O6 C21 C22 C23 86.7(8) . .
O5 C21 C22 C23 -95.0(7) . .
C24 C22 C23 C24 0.8(8) 3_667 .
C21 C22 C23 C24 -175.4(5) . .
C24 C22 C23 Br5 -179.5(4) 3_667 .
C21 C22 C23 Br5 4.2(7) . .
C22 C23 C24 C22 -0.9(9) . 3_667
Br5 C23 C24 C22 179.5(4) . 3_667
C22 C23 C24 Br6 177.6(4) . .
Br5 C23 C24 Br6 -2.0(6) . .
