#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:22:32 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180390 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/59/7205996.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_7205996
loop_
_publ_author_name
'Molčanov, Krešimir'
'Sabljić, Igor'
'Kojić-Prodić, Biserka'
_publ_section_title
;
 Face-to-face π-stacking in the multicomponent crystals of chloranilic
 acid, alkali hydrogenchloranilates, and water
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4211
_journal_paper_doi               10.1039/c1ce05161j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C6 Br2 Cs1 O4'
_chemical_formula_sum            'C9 H8 Cl3 Cs O9'
_chemical_formula_weight         499.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2009-10-23T16:11:34-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                93.075(3)
_cell_angle_beta                 97.838(3)
_cell_angle_gamma                118.980(4)
_cell_formula_units_Z            2
_cell_length_a                   9.3773(4)
_cell_length_b                   9.3823(4)
_cell_length_c                   9.9299(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     749.85(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4323
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Oxford Xcalibur Nova'
_diffrn_measurement_method
;
CCD detector
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54179
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7646
_diffrn_reflns_theta_full        76.37
_diffrn_reflns_theta_max         76.37
_diffrn_reflns_theta_min         4.54
_exptl_absorpt_coefficient_mu    24.61
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.39269
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.467
_refine_ls_extinction_coef       0.0039(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         3097
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_gt           0.024
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0444P)²+0.3252P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0637
_reflns_number_gt                3005
_reflns_number_total             3097
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05161j.txt
_cod_data_source_block           urea-ca-4
_cod_original_cell_volume        749.85(5)
_cod_database_code               7205996
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
_atom_site_disorder_assembly
Cs1 Cs 0.177354(19) 0.268195(18) 0.052799(17) 0.03489(9) Uani 1 d . . .
Cl1 Cl 0.12470(7) 0.62207(7) 0.14893(6) 0.03156(14) Uani 1 d . . .
Cl2 Cl 0.82402(7) 1.26322(7) 0.20184(6) 0.02716(13) Uani 1 d . . .
O1 O 0.7474(2) 0.9137(2) 0.2165(2) 0.0328(4) Uani 1 d . . .
O2 O 0.4514(2) 0.6424(2) 0.1882(2) 0.0318(4) Uani 1 d . . .
H2 H 0.5592 0.6646 0.1772 0.048 Uiso 1 d R . .
O3 O 0.1948(2) 0.9570(2) 0.1070(2) 0.0322(4) Uani 1 d . . .
O4 O 0.4891(2) 1.2313(2) 0.1253(2) 0.0301(4) Uani 1 d . . .
O7 O 0.3121(3) 0.4308(2) -0.2002(2) 0.0377(4) Uani 1 d . . .
H7A H 0.3854 0.5438 -0.1993 0.056 Uiso 1 d R . .
H7B H 0.2414 0.3958 -0.2873 0.056 Uiso 1 d R . .
O8 O 0.0727(2) 0.1225(3) 0.3430(2) 0.0347(4) Uani 1 d . . .
H8A H -0.0435 0.0531 0.3217 0.052 Uiso 1 d R . .
H8B H 0.0975 0.2061 0.4137 0.052 Uiso 1 d R . .
C1 C 0.6265(3) 0.9360(3) 0.1934(2) 0.0216(4) Uani 1 d . . .
C2 C 0.4566(3) 0.7839(3) 0.1777(2) 0.0220(4) Uani 1 d . . .
C3 C 0.3160(3) 0.7936(3) 0.1589(2) 0.0226(4) Uani 1 d . . .
C4 C 0.3195(3) 0.9465(3) 0.1354(2) 0.0215(4) Uani 1 d . . .
C5 C 0.4902(3) 1.1032(3) 0.1472(2) 0.0206(4) Uani 1 d . . .
C6 C 0.6323(3) 1.0876(3) 0.1811(2) 0.0214(4) Uani 1 d . . .
Cl3 Cl 0.45588(8) 0.30771(7) 0.45476(7) 0.03338(14) Uani 1 d . . .
O5 O 0.7647(2) 0.2964(2) 0.51680(19) 0.0283(4) Uani 1 d . . .
O6 O 0.1820(2) -0.0545(2) 0.4393(2) 0.0320(4) Uani 1 d . . .
H6 H 0.1753 0.0294 0.4268 0.048 Uiso 1 d R . .
C7 C 0.6409(3) 0.1619(3) 0.5081(2) 0.0214(4) Uani 1 d . . .
C8 C 0.4733(3) 0.1360(3) 0.4773(2) 0.0229(4) Uani 1 d . . .
C9 C 0.3375(3) -0.0154(3) 0.4672(2) 0.0220(4) Uani 1 d . . .
O9 O 0.1122(3) 0.3686(2) 0.5390(2) 0.0387(4) Uani 1 d . . .
H9A H -0.0011 0.3259 0.5381 0.058 Uiso 1 d R . .
H9B H 0.1579 0.4749 0.5161 0.058 Uiso 1 d R . .
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 0 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.7457 7.9052 '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
O3 Cs1 O4 51.53(5) 1_545 1_545 ?
O3 Cs1 O7 117.51(5) 1_545 . ?
O4 Cs1 O7 88.93(5) 1_545 . ?
O3 Cs1 O3 89.54(5) 1_545 2_565 ?
O4 Cs1 O3 136.61(5) 1_545 2_565 ?
O7 Cs1 O3 94.93(5) . 2_565 ?
O3 Cs1 O2 125.94(5) 1_545 . ?
O4 Cs1 O2 79.56(5) 1_545 . ?
O7 Cs1 O2 77.46(5) . . ?
O3 Cs1 O2 143.40(5) 2_565 . ?
O3 Cs1 O8 63.21(5) 1_545 . ?
O4 Cs1 O8 87.20(5) 1_545 . ?
O7 Cs1 O8 173.90(5) . . ?
O3 Cs1 O8 91.13(5) 2_565 . ?
O2 Cs1 O8 97.19(5) . . ?
O3 Cs1 O1 65.14(5) 1_545 2_665 ?
O4 Cs1 O1 66.28(5) 1_545 2_665 ?
O7 Cs1 O1 54.25(5) . 2_665 ?
O3 Cs1 O1 81.28(5) 2_565 2_665 ?
O2 Cs1 O1 119.10(5) . 2_665 ?
O8 Cs1 O1 127.80(5) . 2_665 ?
O3 Cs1 Cl1 153.78(4) 1_545 . ?
O4 Cs1 Cl1 128.66(4) 1_545 . ?
O7 Cs1 Cl1 87.94(4) . . ?
O3 Cs1 Cl1 94.70(3) 2_565 . ?
O2 Cs1 Cl1 49.82(3) . . ?
O8 Cs1 Cl1 90.80(4) . . ?
O1 Cs1 Cl1 141.07(3) 2_665 . ?
O3 Cs1 Cl2 109.28(4) 1_545 1_445 ?
O4 Cs1 Cl2 142.53(4) 1_545 1_445 ?
O7 Cs1 Cl2 126.59(4) . 1_445 ?
O3 Cs1 Cl2 60.24(4) 2_565 1_445 ?
O2 Cs1 Cl2 95.50(4) . 1_445 ?
O8 Cs1 Cl2 56.32(3) . 1_445 ?
O1 Cs1 Cl2 141.45(3) 2_665 1_445 ?
Cl1 Cs1 Cl2 52.566(13) . 1_445 ?
O3 Cs1 Cl1 138.00(4) 1_545 2_565 ?
O4 Cs1 Cl1 158.36(4) 1_545 2_565 ?
O7 Cs1 Cl1 69.45(4) . 2_565 ?
O3 Cs1 Cl1 48.74(4) 2_565 2_565 ?
O2 Cs1 Cl1 96.00(3) . 2_565 ?
O8 Cs1 Cl1 114.42(3) . 2_565 ?
O1 Cs1 Cl1 98.65(3) 2_665 2_565 ?
Cl1 Cs1 Cl1 54.112(17) . 2_565 ?
Cl2 Cs1 Cl1 58.616(13) 1_445 2_565 ?
O3 Cs1 Cs1 45.78(4) 1_545 2 ?
O4 Cs1 Cs1 95.19(3) 1_545 2 ?
O7 Cs1 Cs1 112.39(4) . 2 ?
O3 Cs1 Cs1 43.76(3) 2_565 2 ?
O2 Cs1 Cs1 168.94(4) . 2 ?
O8 Cs1 Cs1 72.68(4) . 2 ?
O1 Cs1 Cs1 66.46(3) 2_665 2 ?
Cl1 Cs1 Cs1 132.782(11) . 2 ?
Cl2 Cs1 Cs1 82.687(10) 1_445 2 ?
Cl1 Cs1 Cs1 92.374(10) 2_565 2 ?
O3 Cs1 Cs1 105.59(4) 1_545 2_665 ?
O4 Cs1 Cs1 56.37(3) 1_545 2_665 ?
O7 Cs1 Cs1 44.88(4) . 2_665 ?
O3 Cs1 Cs1 139.71(4) 2_565 2_665 ?
O2 Cs1 Cs1 46.77(4) . 2_665 ?
O8 Cs1 Cs1 129.11(3) . 2_665 ?
O1 Cs1 Cs1 72.35(3) 2_665 2_665 ?
Cl1 Cs1 Cs1 87.668(10) . 2_665 ?
Cl2 Cs1 Cs1 139.838(10) 1_445 2_665 ?
Cl1 Cs1 Cs1 105.340(10) 2_565 2_665 ?
Cs1 Cs1 Cs1 137.104(7) 2 2_665 ?
C3 Cl1 Cs1 105.83(8) . . ?
C3 Cl1 Cs1 104.20(8) . 2_565 ?
Cs1 Cl1 Cs1 125.888(17) . 2_565 ?
C6 Cl2 Cs1 121.74(8) . 1_665 ?
C1 O1 Cs1 117.02(15) . 2_665 ?
C2 O2 Cs1 132.09(14) . . ?
C2 O2 H2 103.6 . . ?
Cs1 O2 H2 110.1 . . ?
C4 O3 Cs1 126.91(16) . 1_565 ?
C4 O3 Cs1 137.94(16) . 2_565 ?
Cs1 O3 Cs1 90.46(5) 1_565 2_565 ?
C5 O4 Cs1 126.27(15) . 1_565 ?
Cs1 O7 H7A 125.1 . . ?
Cs1 O7 H7B 120.1 . . ?
H7A O7 H7B 105 . . ?
Cs1 O8 H8A 104.9 . . ?
Cs1 O8 H8B 112.3 . . ?
H8A O8 H8B 108.5 . . ?
O1 C1 C6 126.5(2) . . ?
O1 C1 C2 116.1(2) . . ?
C6 C1 C2 117.4(2) . . ?
O2 C2 C3 121.1(2) . . ?
O2 C2 C1 117.3(2) . . ?
C3 C2 C1 121.6(2) . . ?
C2 C3 C4 121.3(2) . . ?
C2 C3 Cl1 121.28(18) . . ?
C4 C3 Cl1 117.27(17) . . ?
O3 C4 C3 123.2(2) . . ?
O3 C4 C5 118.7(2) . . ?
C3 C4 C5 118.18(19) . . ?
O4 C5 C6 126.0(2) . . ?
O4 C5 C4 116.6(2) . . ?
C6 C5 C4 117.40(19) . . ?
C5 C6 C1 123.6(2) . . ?
C5 C6 Cl2 117.93(17) . . ?
C1 C6 Cl2 118.42(18) . . ?
C9 O6 H6 109.6 . . ?
O5 C7 C8 123.2(2) . . ?
O5 C7 C9 118.5(2) . 2_656 ?
C8 C7 C9 118.3(2) . 2_656 ?
C9 C8 C7 122.0(2) . . ?
C9 C8 Cl3 121.66(18) . . ?
C7 C8 Cl3 116.38(17) . . ?
O6 C9 C8 127.8(2) . . ?
O6 C9 C7 112.5(2) . 2_656 ?
C8 C9 C7 119.7(2) . 2_656 ?
H9A O9 H9B 109.7 . . ?
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
Cs1 O3 3.0740(19) 1_545 ?
Cs1 O4 3.1006(18) 1_545 ?
Cs1 O7 3.105(2) . ?
Cs1 O3 3.1851(19) 2_565 ?
Cs1 O2 3.2475(18) . ?
Cs1 O8 3.321(2) . ?
Cs1 O1 3.428(2) 2_665 ?
Cs1 Cl1 3.6818(6) . ?
Cs1 Cl2 3.7902(6) 1_445 ?
Cs1 Cl1 3.8203(6) 2_565 ?
Cl1 C3 1.719(2) . ?
Cl1 Cs1 3.8203(6) 2_565 ?
Cl2 C6 1.727(2) . ?
Cl2 Cs1 3.7902(6) 1_665 ?
O1 C1 1.243(3) . ?
O1 Cs1 3.428(2) 2_665 ?
O2 C2 1.315(3) . ?
O2 H2 0.9517 . ?
O3 C4 1.217(3) . ?
O3 Cs1 3.0740(19) 1_565 ?
O3 Cs1 3.1851(19) 2_565 ?
O4 C5 1.238(3) . ?
O4 Cs1 3.1006(18) 1_565 ?
O7 H7A 0.9422 . ?
O7 H7B 0.9474 . ?
O8 H8A 0.9439 . ?
O8 H8B 0.939 . ?
C1 C6 1.409(3) . ?
C1 C2 1.518(3) . ?
C2 C3 1.354(3) . ?
C3 C4 1.451(3) . ?
C4 C5 1.545(3) . ?
C5 C6 1.408(3) . ?
Cl3 C8 1.719(2) . ?
O5 C7 1.220(3) . ?
O6 C9 1.303(3) . ?
O6 H6 0.8338 . ?
C7 C8 1.454(3) . ?
C7 C9 1.511(3) 2_656 ?
C8 C9 1.359(3) . ?
C9 C7 1.511(3) 2_656 ?
O9 H9A 0.9349 . ?
O9 H9B 0.931 . ?
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
O3 Cs1 Cl1 C3 111.31(12) 1_545 . . . ?
O4 Cs1 Cl1 C3 31.61(10) 1_545 . . . ?
O7 Cs1 Cl1 C3 -55.37(9) . . . . ?
O3 Cs1 Cl1 C3 -150.15(9) 2_565 . . . ?
O2 Cs1 Cl1 C3 19.92(10) . . . . ?
O8 Cs1 Cl1 C3 118.66(9) . . . . ?
O1 Cs1 Cl1 C3 -68.22(10) 2_665 . . . ?
Cl2 Cs1 Cl1 C3 163.49(9) 1_445 . . . ?
Cl1 Cs1 Cl1 C3 -121.32(9) 2_565 . . . ?
Cs1 Cs1 Cl1 C3 -174.46(8) 2 . . . ?
Cs1 Cs1 Cl1 C3 -10.45(8) 2_665 . . . ?
O3 Cs1 Cl1 Cs1 -127.37(8) 1_545 . . 2_565 ?
O4 Cs1 Cl1 Cs1 152.93(5) 1_545 . . 2_565 ?
O7 Cs1 Cl1 Cs1 65.95(4) . . . 2_565 ?
O3 Cs1 Cl1 Cs1 -28.82(4) 2_565 . . 2_565 ?
O2 Cs1 Cl1 Cs1 141.24(5) . . . 2_565 ?
O8 Cs1 Cl1 Cs1 -120.02(4) . . . 2_565 ?
O1 Cs1 Cl1 Cs1 53.11(5) 2_665 . . 2_565 ?
Cl2 Cs1 Cl1 Cs1 -75.19(2) 1_445 . . 2_565 ?
Cl1 Cs1 Cl1 Cs1 0 2_565 . . 2_565 ?
Cs1 Cs1 Cl1 Cs1 -53.13(3) 2 . . 2_565 ?
Cs1 Cs1 Cl1 Cs1 110.872(19) 2_665 . . 2_565 ?
O3 Cs1 O2 C2 -177.3(2) 1_545 . . . ?
O4 Cs1 O2 C2 158.9(2) 1_545 . . . ?
O7 Cs1 O2 C2 67.6(2) . . . . ?
O3 Cs1 O2 C2 -13.6(3) 2_565 . . . ?
O8 Cs1 O2 C2 -115.4(2) . . . . ?
O1 Cs1 O2 C2 103.6(2) 2_665 . . . ?
Cl1 Cs1 O2 C2 -30.41(19) . . . . ?
Cl2 Cs1 O2 C2 -58.7(2) 1_445 . . . ?
Cl1 Cs1 O2 C2 0.3(2) 2_565 . . . ?
Cs1 Cs1 O2 C2 -138.69(18) 2 . . . ?
Cs1 Cs1 O2 C2 105.7(2) 2_665 . . . ?
Cs1 O1 C1 C6 -106.4(2) 2_665 . . . ?
Cs1 O1 C1 C2 73.9(2) 2_665 . . . ?
Cs1 O2 C2 C3 31.8(3) . . . . ?
Cs1 O2 C2 C1 -150.59(15) . . . . ?
O1 C1 C2 O2 -0.8(3) . . . . ?
C6 C1 C2 O2 179.5(2) . . . . ?
O1 C1 C2 C3 176.8(2) . . . . ?
C6 C1 C2 C3 -2.9(3) . . . . ?
O2 C2 C3 C4 -174.6(2) . . . . ?
C1 C2 C3 C4 7.9(3) . . . . ?
O2 C2 C3 Cl1 0.5(3) . . . . ?
C1 C2 C3 Cl1 -177.05(17) . . . . ?
Cs1 Cl1 C3 C2 -21.6(2) . . . . ?
Cs1 Cl1 C3 C2 -156.02(18) 2_565 . . . ?
Cs1 Cl1 C3 C4 153.64(16) . . . . ?
Cs1 Cl1 C3 C4 19.19(19) 2_565 . . . ?
Cs1 O3 C4 C3 -179.75(15) 1_565 . . . ?
Cs1 O3 C4 C3 -31.8(4) 2_565 . . . ?
Cs1 O3 C4 C5 0.4(3) 1_565 . . . ?
Cs1 O3 C4 C5 148.30(17) 2_565 . . . ?
C2 C3 C4 O3 173.9(2) . . . . ?
Cl1 C3 C4 O3 -1.3(3) . . . . ?
C2 C3 C4 C5 -6.2(3) . . . . ?
Cl1 C3 C4 C5 178.54(15) . . . . ?
Cs1 O4 C5 C6 -179.50(16) 1_565 . . . ?
Cs1 O4 C5 C4 0.8(3) 1_565 . . . ?
O3 C4 C5 O4 -0.8(3) . . . . ?
C3 C4 C5 O4 179.3(2) . . . . ?
O3 C4 C5 C6 179.5(2) . . . . ?
C3 C4 C5 C6 -0.3(3) . . . . ?
O4 C5 C6 C1 -174.3(2) . . . . ?
C4 C5 C6 C1 5.4(3) . . . . ?
O4 C5 C6 Cl2 3.0(3) . . . . ?
C4 C5 C6 Cl2 -177.34(15) . . . . ?
O1 C1 C6 C5 176.3(2) . . . . ?
C2 C1 C6 C5 -4.0(3) . . . . ?
O1 C1 C6 Cl2 -1.0(3) . . . . ?
C2 C1 C6 Cl2 178.75(16) . . . . ?
Cs1 Cl2 C6 C5 -136.42(15) 1_665 . . . ?
Cs1 Cl2 C6 C1 41.0(2) 1_665 . . . ?
O5 C7 C8 C9 179.5(2) . . . . ?
C9 C7 C8 C9 -1.4(4) 2_656 . . . ?
O5 C7 C8 Cl3 -0.8(3) . . . . ?
C9 C7 C8 Cl3 178.28(16) 2_656 . . . ?
C7 C8 C9 O6 -179.5(2) . . . . ?
Cl3 C8 C9 O6 0.8(4) . . . . ?
C7 C8 C9 C7 1.5(4) . . . 2_656 ?
Cl3 C8 C9 C7 -178.25(16) . . . 2_656 ?
