#------------------------------------------------------------------------------
#$Date: 2022-04-14 02:00:47 +0300 (Thu, 14 Apr 2022) $
#$Revision: 274516 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/00/7710033.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_7710033
loop_
_publ_author_name
'Jiajaroen, Suwadee'
'Dungkeaw, Winya'
'Kielar, Filip'
'Sukwattanasinitt, Mongkol'
'Sahasithiwat, Somboon'
'Zenno, Hikaru'
'Hayami, Shinya'
'Azam, Mohammad'
'Al-Resayes, Saud I'
'Chainok, Kittipong'
_publ_section_title
;
 Four series of lanthanide coordination polymers based on the
 tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and
 multifunctional properties
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00007E
_journal_year                    2022
_chemical_formula_moiety         'C15 H12 Br6 Dy O9'
_chemical_formula_sum            'C15 H12 Br6 Dy O9'
_chemical_formula_weight         978.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2020-01-30
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2021-12-21 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.896(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.140(3)
_cell_length_b                   10.5370(11)
_cell_length_c                   21.997(3)
_cell_measurement_reflns_used    9619
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.73
_cell_measurement_theta_min      2.34
_cell_volume                     4651.1(11)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296
_diffrn_detector                 'Bruker PHOTON 200 area detector'
_diffrn_detector_area_resol_mean 7.39
_diffrn_detector_type            'PHOTON II area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'four-circle KAPPA diffractometer'
_diffrn_measurement_device_type  'BRUKER D8 QUEST CMOS PHOTON II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_collimation    '0.5 mm'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0795
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            69165
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.815
_diffrn_reflns_theta_min         2.339
_diffrn_source                   'sealed x-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.567
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.4756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1489 before and 0.0891 after correction.
The Ratio of minimum to maximum transmission is 0.6377.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.794
_exptl_crystal_description       plate
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.822
_refine_diff_density_min         -0.755
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       0.000249(18)
_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   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         6056
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0146P)²+15.7983P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0563
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5354
_reflns_number_total             6056
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00007e2.cif
_cod_data_source_block           8dy
_cod_original_cell_volume        4650.9(10)
_cod_database_code               7710033
_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_max   0.497
_shelx_estimated_absorpt_t_min   0.220
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O9-H9 = O8-H8
 0.82 with sigma of 0.01
 O7-H7
 0.82 with sigma of 0.01
3.a Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_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
Dy1 Dy 0.52392(2) 0.52090(2) 0.39319(2) 0.01664(5) Uani 1 1 d . . . . .
Br1 Br 0.75950(2) 0.48849(3) 0.31586(2) 0.03282(9) Uani 1 1 d . . . . .
Br2 Br 0.90476(2) 0.63132(3) 0.33864(2) 0.03031(9) Uani 1 1 d . . . . .
Br3 Br 0.77313(2) 1.10549(3) 0.35590(2) 0.03376(10) Uani 1 1 d . . . . .
Br4 Br 0.62777(2) 0.95780(4) 0.33121(2) 0.03646(10) Uani 1 1 d . . . . .
Br5 Br 0.64318(2) 0.14528(3) 0.49670(2) 0.03723(10) Uani 1 1 d . . . . .
Br6 Br 0.63666(2) -0.16948(3) 0.50323(2) 0.02942(9) Uani 1 1 d . . . . .
O1 O 0.60882(12) 0.6506(2) 0.36589(12) 0.0272(5) Uani 1 1 d . . . . .
O2 O 0.61842(14) 0.6334(3) 0.26630(13) 0.0427(7) Uani 1 1 d . . . . .
O3 O 0.90779(12) 0.9759(2) 0.41071(12) 0.0270(5) Uani 1 1 d . . . . .
O4 O 0.93670(11) 0.9223(2) 0.32040(11) 0.0255(5) Uani 1 1 d . . . . .
O5 O 0.51635(12) 0.3143(2) 0.43391(12) 0.0263(5) Uani 1 1 d . . . . .
O6 O 0.49879(12) 0.3443(2) 0.53133(12) 0.0273(5) Uani 1 1 d . . . . .
O7 O 0.58103(14) 0.4049(2) 0.32216(14) 0.0321(6) Uani 1 1 d D . . . .
H7 H 0.590(3) 0.437(5) 0.2898(14) 0.070(19) Uiso 1 1 d D . . . .
O8 O 0.61611(12) 0.4944(3) 0.46978(12) 0.0292(6) Uani 1 1 d D . . . .
H8 H 0.611(2) 0.505(4) 0.5060(7) 0.036(13) Uiso 1 1 d D . . . .
O9 O 0.46691(14) 0.6757(2) 0.33084(13) 0.0338(6) Uani 1 1 d D . . . .
H9 H 0.4455(18) 0.647(4) 0.3008(12) 0.028(11) Uiso 1 1 d D . . . .
C1 C 0.63759(16) 0.6679(3) 0.31784(16) 0.0223(7) Uani 1 1 d . . . . .
C2 C 0.70483(15) 0.7347(3) 0.32733(15) 0.0193(6) Uani 1 1 d . . . . .
C3 C 0.76377(16) 0.6662(3) 0.32734(15) 0.0205(6) Uani 1 1 d . . . . .
C4 C 0.82554(16) 0.7277(3) 0.33673(15) 0.0209(6) Uani 1 1 d . . . . .
C5 C 0.82839(16) 0.8583(3) 0.34648(16) 0.0210(6) Uani 1 1 d . . . . .
C6 C 0.89536(16) 0.9231(3) 0.35972(16) 0.0220(7) Uani 1 1 d . . . . .
C7 C 0.76965(16) 0.9268(3) 0.34603(16) 0.0227(7) Uani 1 1 d . . . . .
C8 C 0.70823(15) 0.8659(3) 0.33585(16) 0.0209(6) Uani 1 1 d . . . . .
C9 C 0.50599(15) 0.2758(3) 0.48570(15) 0.0185(6) Uani 1 1 d . . . . .
C10 C 0.50250(15) 0.1325(3) 0.49431(14) 0.0169(6) Uani 1 1 d . . . . .
C11 C 0.56092(15) 0.0601(3) 0.49708(15) 0.0187(6) Uani 1 1 d . . . . .
C12 C 0.55842(15) -0.0715(3) 0.50197(15) 0.0190(6) Uani 1 1 d . . . . .
C13 C 0.5915(3) 0.2730(4) 0.3156(3) 0.0603(15) Uani 1 1 d . . . . .
H13A H 0.634114 0.258836 0.300343 0.091 Uiso 1 1 calc R U . . .
H13B H 0.557094 0.238400 0.287473 0.091 Uiso 1 1 calc R U . . .
H13C H 0.590280 0.232222 0.354517 0.091 Uiso 1 1 calc R U . . .
C14 C 0.6860(2) 0.4926(5) 0.4680(2) 0.0500(12) Uani 1 1 d . . . . .
H14A H 0.697897 0.430171 0.439042 0.075 Uiso 1 1 calc R U . . .
H14B H 0.706653 0.471644 0.507702 0.075 Uiso 1 1 calc R U . . .
H14C H 0.701053 0.574632 0.456086 0.075 Uiso 1 1 calc R U . . .
C15 C 0.4561(3) 0.8073(4) 0.3400(2) 0.0524(13) Uani 1 1 d . . . . .
H15A H 0.458591 0.851818 0.302205 0.079 Uiso 1 1 calc R U . . .
H15B H 0.489632 0.839395 0.369761 0.079 Uiso 1 1 calc R U . . .
H15C H 0.412882 0.819731 0.354350 0.079 Uiso 1 1 calc R U . . .
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'
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 Dy1 O3 153.40(9) . 3_445 ?
O1 Dy1 O4 125.12(9) . 3_445 ?
O1 Dy1 O5 135.82(9) . . ?
O1 Dy1 O7 73.78(9) . . ?
O1 Dy1 O8 72.98(9) . . ?
O1 Dy1 O9 76.97(9) . . ?
O3 Dy1 O4 52.55(8) 3_445 3_445 ?
O5 Dy1 O3 70.66(9) . 3_445 ?
O5 Dy1 O4 78.18(8) . 3_445 ?
O5 Dy1 O8 72.53(9) . . ?
O5 Dy1 O9 144.21(9) . . ?
O6 Dy1 O1 91.14(9) 5_666 . ?
O6 Dy1 O3 75.53(8) 5_666 3_445 ?
O6 Dy1 O4 123.80(8) 5_666 3_445 ?
O6 Dy1 O5 106.05(9) 5_666 . ?
O6 Dy1 O7 162.26(10) 5_666 . ?
O6 Dy1 O8 75.63(9) 5_666 . ?
O6 Dy1 O9 82.77(10) 5_666 . ?
O7 Dy1 O3 122.02(9) . 3_445 ?
O7 Dy1 O4 73.50(9) . 3_445 ?
O7 Dy1 O5 79.91(9) . . ?
O7 Dy1 O8 90.75(10) . . ?
O7 Dy1 O9 102.31(10) . . ?
O8 Dy1 O3 123.76(9) . 3_445 ?
O8 Dy1 O4 148.80(9) . 3_445 ?
O9 Dy1 O3 78.56(10) . 3_445 ?
O9 Dy1 O4 68.62(9) . 3_445 ?
O9 Dy1 O8 142.27(9) . . ?
C1 O1 Dy1 135.0(2) . . ?
C6 O3 Dy1 93.7(2) . 3 ?
C6 O4 Dy1 91.56(19) . 3 ?
C9 O5 Dy1 132.0(2) . . ?
C9 O6 Dy1 173.3(2) . 5_666 ?
Dy1 O7 H7 121(4) . . ?
C13 O7 Dy1 131.4(3) . . ?
C13 O7 H7 106(4) . . ?
Dy1 O8 H8 121(3) . . ?
C14 O8 Dy1 133.8(3) . . ?
C14 O8 H8 103(3) . . ?
Dy1 O9 H9 114(3) . . ?
C15 O9 Dy1 131.5(3) . . ?
C15 O9 H9 114(3) . . ?
O1 C1 C2 114.7(3) . . ?
O2 C1 O1 127.1(3) . . ?
O2 C1 C2 118.1(3) . . ?
C3 C2 C1 120.6(3) . . ?
C3 C2 C8 118.8(3) . . ?
C8 C2 C1 120.6(3) . . ?
C2 C3 Br1 119.0(2) . . ?
C2 C3 C4 120.5(3) . . ?
C4 C3 Br1 120.5(2) . . ?
C3 C4 Br2 119.5(2) . . ?
C5 C4 Br2 120.3(2) . . ?
C5 C4 C3 120.2(3) . . ?
C4 C5 C6 119.9(3) . . ?
C7 C5 C4 119.3(3) . . ?
C7 C5 C6 120.8(3) . . ?
O3 C6 Dy1 59.87(17) . 3 ?
O3 C6 C5 118.4(3) . . ?
O4 C6 Dy1 62.18(17) . 3 ?
O4 C6 O3 121.7(3) . . ?
O4 C6 C5 119.8(3) . . ?
C5 C6 Dy1 173.6(2) . 3 ?
C5 C7 Br3 119.5(2) . . ?
C5 C7 C8 120.5(3) . . ?
C8 C7 Br3 119.9(2) . . ?
C2 C8 Br4 118.0(2) . . ?
C7 C8 Br4 121.3(2) . . ?
C7 C8 C2 120.7(3) . . ?
O5 C9 O6 125.8(3) . . ?
O5 C9 C10 116.7(3) . . ?
O6 C9 C10 117.5(3) . . ?
C11 C10 C9 119.9(3) . . ?
C12 C10 C9 121.0(3) 5_656 . ?
C12 C10 C11 119.2(3) 5_656 . ?
C10 C11 Br5 118.5(2) . . ?
C12 C11 Br5 120.8(2) . . ?
C12 C11 C10 120.7(3) . . ?
C10 C12 Br6 119.1(2) 5_656 . ?
C11 C12 Br6 120.8(2) . . ?
C11 C12 C10 120.1(3) . 5_656 ?
O7 C13 H13A 109.5 . . ?
O7 C13 H13B 109.5 . . ?
O7 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O8 C14 H14A 109.5 . . ?
O8 C14 H14B 109.5 . . ?
O8 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O9 C15 H15A 109.5 . . ?
O9 C15 H15B 109.5 . . ?
O9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
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
Dy1 O1 2.308(2) . ?
Dy1 O3 2.449(2) 3_445 ?
Dy1 O4 2.500(2) 3_445 ?
Dy1 O5 2.364(2) . ?
Dy1 O6 2.261(2) 5_666 ?
Dy1 O7 2.359(3) . ?
Dy1 O8 2.414(3) . ?
Dy1 O9 2.364(3) . ?
Br1 C3 1.890(3) . ?
Br2 C4 1.889(3) . ?
Br3 C7 1.896(3) . ?
Br4 C8 1.883(3) . ?
Br5 C11 1.885(3) . ?
Br6 C12 1.882(3) . ?
O1 C1 1.261(4) . ?
O2 C1 1.222(4) . ?
O3 C6 1.258(4) . ?
O4 C6 1.251(4) . ?
O5 C9 1.244(4) . ?
O6 C9 1.255(4) . ?
O7 H7 0.818(10) . ?
O7 C13 1.415(5) . ?
O8 H8 0.820(10) . ?
O8 C14 1.412(5) . ?
O9 H9 0.818(10) . ?
O9 C15 1.422(5) . ?
C1 C2 1.525(4) . ?
C2 C3 1.389(5) . ?
C2 C8 1.396(4) . ?
C3 C4 1.402(4) . ?
C4 C5 1.394(4) . ?
C5 C6 1.517(4) . ?
C5 C7 1.385(5) . ?
C7 C8 1.395(4) . ?
C9 C10 1.524(4) . ?
C10 C11 1.399(4) . ?
C10 C12 1.394(4) 5_656 ?
C11 C12 1.393(4) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O7 H7 O2 0.818(10) 2.22(5) 2.834(4) 131(5) . yes
O7 H7 O4 0.818(10) 2.44(4) 3.131(4) 143(5) 4_645 yes
O8 H8 O3 0.820(10) 1.913(12) 2.731(4) 175(5) 7_666 yes
O9 H9 O2 0.818(10) 1.878(17) 2.663(4) 160(4) 2_655 yes
C13 H13C O5 0.96 2.54 3.150(6) 121.4 . yes
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 O2 15.3(6) . . . . ?
Dy1 O1 C1 C2 -162.1(2) . . . . ?
Dy1 O3 C6 O4 -6.6(3) 3 . . . ?
Dy1 O3 C6 C5 173.0(3) 3 . . . ?
Dy1 O4 C6 O3 6.5(3) 3 . . . ?
Dy1 O4 C6 C5 -173.1(3) 3 . . . ?
Dy1 O5 C9 O6 -2.5(5) . . . . ?
Dy1 O5 C9 C10 178.19(19) . . . . ?
Br1 C3 C4 Br2 -0.6(4) . . . . ?
Br1 C3 C4 C5 -178.6(3) . . . . ?
Br2 C4 C5 C6 -1.0(4) . . . . ?
Br2 C4 C5 C7 -178.8(3) . . . . ?
Br3 C7 C8 Br4 0.3(4) . . . . ?
Br3 C7 C8 C2 178.8(3) . . . . ?
Br5 C11 C12 Br6 -4.0(4) . . . . ?
Br5 C11 C12 C10 176.3(2) . . . 5_656 ?
O1 C1 C2 C3 102.2(4) . . . . ?
O1 C1 C2 C8 -78.1(4) . . . . ?
O2 C1 C2 C3 -75.4(4) . . . . ?
O2 C1 C2 C8 104.3(4) . . . . ?
O5 C9 C10 C11 74.1(4) . . . . ?
O5 C9 C10 C12 -104.4(4) . . . 5_656 ?
O6 C9 C10 C11 -105.3(4) . . . . ?
O6 C9 C10 C12 76.2(4) . . . 5_656 ?
C1 C2 C3 Br1 -0.3(4) . . . . ?
C1 C2 C3 C4 -179.3(3) . . . . ?
C1 C2 C8 Br4 -3.1(4) . . . . ?
C1 C2 C8 C7 178.4(3) . . . . ?
C2 C3 C4 Br2 178.3(3) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
C3 C2 C8 Br4 176.6(2) . . . . ?
C3 C2 C8 C7 -1.9(5) . . . . ?
C3 C4 C5 C6 177.0(3) . . . . ?
C3 C4 C5 C7 -0.8(5) . . . . ?
C4 C5 C6 O3 -116.5(4) . . . . ?
C4 C5 C6 O4 63.2(5) . . . . ?
C4 C5 C7 Br3 -177.4(3) . . . . ?
C4 C5 C7 C8 -0.1(5) . . . . ?
C5 C7 C8 Br4 -177.0(3) . . . . ?
C5 C7 C8 C2 1.5(5) . . . . ?
C6 C5 C7 Br3 4.8(5) . . . . ?
C6 C5 C7 C8 -177.8(3) . . . . ?
C7 C5 C6 O3 61.3(5) . . . . ?
C7 C5 C6 O4 -119.1(4) . . . . ?
C8 C2 C3 Br1 180.0(3) . . . . ?
C8 C2 C3 C4 1.0(5) . . . . ?
C9 C10 C11 Br5 5.1(4) . . . . ?
C9 C10 C11 C12 -176.9(3) . . . . ?
C10 C11 C12 Br6 178.1(2) . . . . ?
C10 C11 C12 C10 -1.6(5) . . . 5_656 ?
C12 C10 C11 Br5 -176.4(2) 5_656 . . . ?
C12 C10 C11 C12 1.6(5) 5_656 . . . ?
