#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/57/2105744.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_2105744
loop_
_publ_author_name
'Molčanov, Krešimir'
'Babić, Darko'
'Kojić-Prodić, Biserka'
'Stare, Jernej'
'Maltar-Strmečki, Nadica'
'Androš, Lidija'
_publ_section_title
;
 Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical
 anions in the crystalline state
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              181
_journal_page_last               190
_journal_paper_doi               10.1107/S2052520613027170
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C8 H4 Cl2 Cs N2 O4'
_chemical_formula_sum            'C8 H4 Cl2 Cs N2 O4'
_chemical_formula_weight         395.94
_chemical_name_common            CsDDQx2H2O
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.64620(10)
_cell_length_b                   18.2212(3)
_cell_length_c                   9.7758(2)
_cell_measurement_reflns_used    2948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.46
_cell_measurement_theta_min      4.52
_cell_volume                     1183.87(4)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       'CrysAlisPro (Agilent, 2012)'
_computing_data_reduction        CrysAlisPro
_computing_molecular_graphics
;
Ortep-3 for Windows (Farrugia, 2012) & Mercury (Macrae et al., 2006)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) & PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            3678
_diffrn_reflns_theta_full        75.64
_diffrn_reflns_theta_max         75.64
_diffrn_reflns_theta_min         4.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    28.640
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro (Agilent, 2012)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.873
_refine_diff_density_min         -0.872
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   -0.016(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0365
_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)+(0.0570P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                2176
_reflns_number_total             2232
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi5007sup1.cif
_cod_data_source_block           CsDDQx2H2O_293K
_cod_original_sg_symbol_Hall     ' P 2 2ab'
_cod_database_code               2105744
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Cs Cs1 0.40430(6) 0.65307(2) 0.54107(3) 0.04063(13) Uani d . 1 1
Cl Cl1 0.1462(3) 0.70343(7) -0.11081(15) 0.0455(3) Uani d . 1 1
Cl Cl2 0.1451(3) 0.69924(7) 0.20835(14) 0.0455(4) Uani d . 1 1
O O1 0.1937(8) 0.5520(2) 0.3206(4) 0.0406(9) Uani d . 1 1
O O2 0.1891(8) 0.5573(2) -0.2341(4) 0.0398(9) Uani d . 1 1
O O3 0.7728(10) 0.5457(3) 0.5409(4) 0.0566(13) Uani d . 1 1
H H3A 0.7972 0.5137 0.6157 0.085 Uiso d R 1 1
H H3B 0.8098 0.5183 0.4622 0.085 Uiso d R 1 1
O O4 0.4248(10) 0.8126(3) 0.4318(6) 0.0591(13) Uani d . 1 1
H H4A 0.3857 0.8608 0.4581 0.089 Uiso d R 1 1
H H4B 0.4673 0.8167 0.3394 0.089 Uiso d R 1 1
N N1 0.3368(11) 0.3718(3) 0.2453(6) 0.0490(13) Uani d . 1 1
N N2 0.3331(12) 0.3774(3) -0.1748(6) 0.0498(14) Uani d . 1 1
C C1 0.1947(9) 0.5528(3) 0.1941(5) 0.0307(10) Uani d . 1 1
C C2 0.2313(8) 0.4871(3) 0.1120(5) 0.0283(10) Uani d . 1 1
C C3 0.2309(8) 0.4891(3) -0.0302(4) 0.0272(9) Uani d . 1 1
C C4 0.1926(9) 0.5556(3) -0.1070(5) 0.0299(10) Uani d . 1 1
C C5 0.1666(9) 0.6225(3) -0.0231(5) 0.0312(10) Uani d . 1 1
C C6 0.1654(9) 0.6204(3) 0.1136(5) 0.0316(10) Uani d . 1 1
C C7 0.2879(10) 0.4224(3) 0.1858(5) 0.0340(11) Uani d . 1 1
C C8 0.2838(9) 0.4260(3) -0.1091(5) 0.0339(11) Uani d . 1 1
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'
Cl Cl 0.3639 0.7018 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O4 Cs1 O3 . . 123.42(16)
O4 Cs1 O2 . 1_556 141.25(14)
O3 Cs1 O2 . 1_556 90.53(13)
O4 Cs1 O1 . . 109.33(13)
O3 Cs1 O1 . . 88.96(13)
O2 Cs1 O1 1_556 . 87.24(10)
O4 Cs1 O4 . 3_466 83.75(14)
O3 Cs1 O4 . 3_466 152.12(14)
O2 Cs1 O4 1_556 3_466 66.76(13)
O1 Cs1 O4 . 3_466 74.58(14)
O4 Cs1 N2 . 2_666 114.88(15)
O3 Cs1 N2 . 2_666 59.11(14)
O2 Cs1 N2 1_556 2_666 64.11(15)
O1 Cs1 N2 . 2_666 134.77(13)
O4 Cs1 N2 3_466 2_666 118.50(17)
O4 Cs1 N1 . 2_665 79.03(15)
O3 Cs1 N1 . 2_665 61.33(13)
O2 Cs1 N1 1_556 2_665 138.62(12)
O1 Cs1 N1 . 2_665 64.28(14)
O4 Cs1 N1 3_466 2_665 126.20(16)
N2 Cs1 N1 2_666 2_665 115.02(16)
O4 Cs1 O4 . 3_566 79.42(13)
O3 Cs1 O4 . 3_566 49.01(14)
O2 Cs1 O4 1_556 3_566 119.44(13)
O1 Cs1 O4 . 3_566 126.08(13)
O4 Cs1 O4 3_466 3_566 156.87(18)
N2 Cs1 O4 2_666 3_566 56.78(15)
N1 Cs1 O4 2_665 3_566 65.81(15)
O4 Cs1 Cl2 . . 60.95(11)
O3 Cs1 Cl2 . . 119.68(8)
O2 Cs1 Cl2 1_556 . 121.15(9)
O1 Cs1 Cl2 . . 48.74(8)
O4 Cs1 Cl2 3_466 . 65.22(10)
N2 Cs1 Cl2 2_666 . 174.71(12)
N1 Cs1 Cl2 2_665 . 61.80(12)
O4 Cs1 Cl2 3_566 . 118.23(9)
O4 Cs1 O3 . 2_665 154.87(14)
O3 Cs1 O3 . 2_665 69.37(18)
O2 Cs1 O3 1_556 2_665 48.17(10)
O1 Cs1 O3 . 2_665 46.28(10)
O4 Cs1 O3 3_466 2_665 83.12(13)
N2 Cs1 O3 2_666 2_665 90.23(13)
N1 Cs1 O3 2_665 2_665 91.67(13)
O4 Cs1 O3 3_566 2_665 118.16(13)
Cl2 Cs1 O3 . 2_665 94.04(8)
O4 Cs1 Cl1 . 1_556 95.67(12)
O3 Cs1 Cl1 . 1_556 119.23(8)
O2 Cs1 Cl1 1_556 1_556 47.56(8)
O1 Cs1 Cl1 . 1_556 122.31(9)
O4 Cs1 Cl1 3_466 1_556 57.09(11)
N2 Cs1 Cl1 2_666 1_556 62.84(13)
N1 Cs1 Cl1 2_665 1_556 172.93(11)
O4 Cs1 Cl1 3_566 1_556 108.82(10)
Cl2 Cs1 Cl1 . 1_556 119.74(3)
O3 Cs1 Cl1 2_665 1_556 95.04(8)
O4 Cs1 Cl2 . 3_566 63.88(11)
O3 Cs1 Cl2 . 3_566 96.22(10)
O2 Cs1 Cl2 1_556 3_566 97.35(8)
O1 Cs1 Cl2 . 3_566 173.02(8)
O4 Cs1 Cl2 3_466 3_566 102.34(11)
N2 Cs1 Cl2 2_666 3_566 52.20(11)
N1 Cs1 Cl2 2_665 3_566 114.28(12)
O4 Cs1 Cl2 3_566 3_566 55.85(10)
Cl2 Cs1 Cl2 . 3_566 124.313(19)
O3 Cs1 Cl2 2_665 3_566 140.22(7)
Cl1 Cs1 Cl2 1_556 3_566 58.85(4)
C5 Cl1 Cs1 . 1_554 101.47(19)
C6 Cl2 Cs1 . . 104.05(19)
C6 Cl2 Cs1 . 3_466 158.7(2)
Cs1 Cl2 Cs1 . 3_466 78.68(3)
C1 O1 Cs1 . . 132.3(4)
C4 O2 Cs1 . 1_554 134.6(4)
Cs1 O3 Cs1 . 2_665 110.62(18)
Cs1 O3 H3A . . 121.1
Cs1 O3 H3A 2_665 . 57.9
Cs1 O3 H3B . . 122.1
Cs1 O3 H3B 2_665 . 65.2
H3A O3 H3B . . 104.8
Cs1 O4 Cs1 . 3_566 101.24(16)
Cs1 O4 Cs1 . 3_466 95.58(16)
Cs1 O4 Cs1 3_566 3_466 156.87(18)
Cs1 O4 H4A . . 139.5
Cs1 O4 H4A 3_566 . 93.9
Cs1 O4 H4A 3_466 . 63.1
Cs1 O4 H4B . . 114.5
Cs1 O4 H4B 3_566 . 76.8
Cs1 O4 H4B 3_466 . 110.4
H4A O4 H4B . . 105.4
C7 N1 Cs1 . 2_665 133.6(5)
C8 N2 Cs1 . 2_664 138.5(5)
O1 C1 C2 . . 122.7(5)
O1 C1 C6 . . 122.8(5)
C2 C1 C6 . . 114.5(4)
C3 C2 C7 . . 121.7(5)
C3 C2 C1 . . 121.7(5)
C7 C2 C1 . . 116.2(4)
C2 C3 C8 . . 121.2(5)
C2 C3 C4 . . 122.8(5)
C8 C3 C4 . . 115.9(4)
O2 C4 C3 . . 122.8(5)
O2 C4 C5 . . 122.1(5)
C3 C4 C5 . . 115.0(4)
C6 C5 C4 . . 122.1(5)
C6 C5 Cl1 . . 121.7(4)
C4 C5 Cl1 . . 116.2(4)
C5 C6 C1 . . 123.8(5)
C5 C6 Cl2 . . 121.1(4)
C1 C6 Cl2 . . 115.0(4)
N1 C7 C2 . . 178.4(7)
N2 C8 C3 . . 176.9(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cs1 O4 . 3.100(5)
Cs1 O3 . 3.135(6)
Cs1 O2 1_556 3.150(4)
Cs1 O1 . 3.161(4)
Cs1 O4 3_466 3.258(7)
Cs1 N2 2_666 3.327(6)
Cs1 N1 2_665 3.395(6)
Cs1 O4 3_566 3.525(7)
Cs1 Cl2 . 3.7756(15)
Cs1 O3 2_665 3.808(5)
Cs1 Cl1 1_556 3.9198(16)
Cs1 Cl2 3_566 3.9752(14)
Cl1 C5 . 1.711(5)
Cl1 Cs1 1_554 3.9198(16)
Cl2 C6 . 1.714(5)
Cl2 Cs1 3_466 3.9752(14)
O1 C1 . 1.237(6)
O2 C4 . 1.243(6)
O2 Cs1 1_554 3.150(4)
O3 Cs1 2_665 3.808(5)
O3 H3A . 0.9499
O3 H3B . 0.9499
O4 Cs1 3_566 3.258(7)
O4 Cs1 3_466 3.525(7)
O4 H4A . 0.9500
O4 H4B . 0.9500
N1 C7 . 1.138(9)
N1 Cs1 2_665 3.395(6)
N2 C8 . 1.143(8)
N2 Cs1 2_664 3.327(6)
C1 C2 . 1.462(7)
C1 C6 . 1.475(7)
C2 C3 . 1.391(6)
C2 C7 . 1.432(7)
C3 C8 . 1.429(7)
C3 C4 . 1.448(7)
C4 C5 . 1.479(7)
C5 C6 . 1.337(7)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3B O1 2_665 0.95 1.89 2.803(6) 161.5
O3 H3A O2 2_666 0.95 1.96 2.902(6) 172.3
O4 H4A O3 3_466 0.95 1.86 2.785(8) 163.1
O4 H4B Cl1 3_565 0.95 2.56 3.479(6) 163.4
O4 H4B N2 4 0.95 2.79 3.263(9) 111.5
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O4 Cs1 Cl2 C6 . . 147.4(3)
O3 Cs1 Cl2 C6 . . 33.2(2)
O2 Cs1 Cl2 C6 1_556 . -77.7(2)
O1 Cs1 Cl2 C6 . . -24.9(2)
O4 Cs1 Cl2 C6 3_466 . -115.8(2)
N1 Cs1 Cl2 C6 2_665 . 54.4(2)
O4 Cs1 Cl2 C6 3_566 . 89.8(2)
O3 Cs1 Cl2 C6 2_665 . -35.3(2)
Cl1 Cs1 Cl2 C6 1_556 . -133.4(2)
Cl2 Cs1 Cl2 C6 3_566 . 155.9(2)
O4 Cs1 Cl2 Cs1 . 3_466 -54.30(14)
O3 Cs1 Cl2 Cs1 . 3_466 -168.42(12)
O2 Cs1 Cl2 Cs1 1_556 3_466 80.66(10)
O1 Cs1 Cl2 Cs1 . 3_466 133.43(13)
O4 Cs1 Cl2 Cs1 3_466 3_466 42.55(11)
N1 Cs1 Cl2 Cs1 2_665 3_466 -147.21(12)
O4 Cs1 Cl2 Cs1 3_566 3_466 -111.85(10)
O3 Cs1 Cl2 Cs1 2_665 3_466 123.06(9)
Cl1 Cs1 Cl2 Cs1 1_556 3_466 24.91(4)
Cl2 Cs1 Cl2 Cs1 3_566 3_466 -45.74(6)
O4 Cs1 O1 C1 . . 34.1(6)
O3 Cs1 O1 C1 . . -91.1(6)
O2 Cs1 O1 C1 1_556 . 178.3(6)
O4 Cs1 O1 C1 3_466 . 111.6(6)
N2 Cs1 O1 C1 2_666 . -133.3(5)
N1 Cs1 O1 C1 2_665 . -32.7(6)
O4 Cs1 O1 C1 3_566 . -56.7(6)
Cl2 Cs1 O1 C1 . . 41.3(5)
O3 Cs1 O1 C1 2_665 . -153.1(6)
Cl1 Cs1 O1 C1 1_556 . 144.4(5)
O4 Cs1 O3 Cs1 . 2_665 -155.64(14)
O2 Cs1 O3 Cs1 1_556 2_665 44.21(13)
O1 Cs1 O3 Cs1 . 2_665 -43.02(12)
O4 Cs1 O3 Cs1 3_466 2_665 9.9(3)
N2 Cs1 O3 Cs1 2_666 2_665 103.25(18)
N1 Cs1 O3 Cs1 2_665 2_665 -104.02(18)
O4 Cs1 O3 Cs1 3_566 2_665 174.2(2)
Cl2 Cs1 O3 Cs1 . 2_665 -82.71(12)
O3 Cs1 O3 Cs1 2_665 2_665 -0.05(13)
Cl1 Cs1 O3 Cs1 1_556 2_665 84.03(12)
Cl2 Cs1 O3 Cs1 3_566 2_665 141.66(9)
O3 Cs1 O4 Cs1 . 3_566 -23.3(2)
O2 Cs1 O4 Cs1 1_556 3_566 123.8(2)
O1 Cs1 O4 Cs1 . 3_566 -125.36(15)
O4 Cs1 O4 Cs1 3_466 3_566 163.4(2)
N2 Cs1 O4 Cs1 2_666 3_566 44.8(2)
N1 Cs1 O4 Cs1 2_665 3_566 -67.80(17)
O4 Cs1 O4 Cs1 3_566 3_566 -0.66(14)
Cl2 Cs1 O4 Cs1 . 3_566 -131.51(18)
O3 Cs1 O4 Cs1 2_665 3_566 -137.7(3)
Cl1 Cs1 O4 Cs1 1_556 3_566 107.48(13)
Cl2 Cs1 O4 Cs1 3_566 3_566 56.36(11)
O3 Cs1 O4 Cs1 . 3_466 172.62(11)
O2 Cs1 O4 Cs1 1_556 3_466 -40.2(3)
O1 Cs1 O4 Cs1 . 3_466 70.59(16)
O4 Cs1 O4 Cs1 3_466 3_466 -0.64(14)
N2 Cs1 O4 Cs1 2_666 3_466 -119.21(17)
N1 Cs1 O4 Cs1 2_665 3_466 128.15(17)
O4 Cs1 O4 Cs1 3_566 3_466 -164.7(2)
Cl2 Cs1 O4 Cs1 . 3_466 64.44(11)
O3 Cs1 O4 Cs1 2_665 3_466 58.2(4)
Cl1 Cs1 O4 Cs1 1_556 3_466 -56.57(11)
Cl2 Cs1 O4 Cs1 3_566 3_466 -107.69(14)
Cs1 O1 C1 C2 . . 131.7(5)
Cs1 O1 C1 C6 . . -46.3(9)
O1 C1 C2 C3 . . 179.7(6)
C6 C1 C2 C3 . . -2.0(8)
O1 C1 C2 C7 . . -6.5(9)
C6 C1 C2 C7 . . 171.7(5)
C7 C2 C3 C8 . . 1.2(9)
C1 C2 C3 C8 . . 174.5(5)
C7 C2 C3 C4 . . -174.1(5)
C1 C2 C3 C4 . . -0.7(9)
Cs1 O2 C4 C3 1_554 . -127.6(5)
Cs1 O2 C4 C5 1_554 . 49.7(9)
C2 C3 C4 O2 . . -178.8(6)
C8 C3 C4 O2 . . 5.7(8)
C2 C3 C4 C5 . . 3.8(8)
C8 C3 C4 C5 . . -171.7(5)
O2 C4 C5 C6 . . 178.3(6)
C3 C4 C5 C6 . . -4.3(9)
O2 C4 C5 Cl1 . . -3.7(8)
C3 C4 C5 Cl1 . . 173.7(4)
Cs1 Cl1 C5 C6 1_554 . 155.6(5)
Cs1 Cl1 C5 C4 1_554 . -22.4(5)
C4 C5 C6 C1 . . 1.7(10)
Cl1 C5 C6 C1 . . -176.2(4)
C4 C5 C6 Cl2 . . 177.4(4)
Cl1 C5 C6 Cl2 . . -0.5(9)
O1 C1 C6 C5 . . 179.8(7)
C2 C1 C6 C5 . . 1.5(9)
O1 C1 C6 Cl2 . . 3.8(8)
C2 C1 C6 Cl2 . . -174.4(4)
Cs1 Cl2 C6 C5 . . -152.9(5)
Cs1 Cl2 C6 C5 3_466 . 112.3(6)
Cs1 Cl2 C6 C1 . . 23.2(5)
Cs1 Cl2 C6 C1 3_466 . -71.7(7)
