##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
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data_global
_audit_creation_method     'from SHELXL97 CIF and IUCr SHELXL97-template'
_journal_date_recd_electronic     2008-08-19
_journal_date_accepted     2008-10-15
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue     12
_journal_page_first     m1516
_journal_page_last     m1516
_journal_paper_category     QM
_journal_coeditor_code     HB2784
_publ_contact_author_name     'Zhao Fuqi'
_publ_contact_author_address
;
School of Chemistry and Chemical Engineering,
TaiShan Medical University
Tai'an 271016
P. R. China
;
_publ_contact_author_email     binboll@126.com
_publ_contact_author_fax     '86 0531 8236950'
_publ_contact_author_phone     '86 0538 6229741'
_publ_section_title
;
Bis(ethylenedithio)tetrathiafulvalenium--tetrachloridocobaltate(II) (3/2)
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhao, Fuqi'
;
School of Chemistry and Chemical Engineering,
TaiShan Medical University
Tai'an 271016
People's Republic of China
;
    'Li, Ping'
;
School of Chemistry and Chemical Engineering,
TaiShan Medical University
Tai'an 271016
People's Republic of China
;
    'Zhu, Xiaohui'
;
School of Chemistry and Chemical Engineering,
TaiShan Medical University
Tai'an 271016
People's Republic of China
;
    'Dong, Lihua'
;
School of Chemistry and Chemical Engineering,
TaiShan Medical University
Tai'an 271016
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis(ethylenedithio)tetrathiafulvalenium--tetrachloridocobaltate(II) (3/2)
;
_chemical_name_common     ?
_chemical_formula_moiety     '3(C10 H8 S8 1.33-), 2(Cl4 Co 2-)'
_chemical_formula_sum     'C30 H24 Cl8 Co2 S24'
_chemical_formula_iupac     '(C10 H8 S8)3 [Co Cl4]2'
_chemical_formula_weight     1555.39
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     6.7904(19)
_cell_length_b     9.6402(18)
_cell_length_c     20.499(4)
_cell_angle_alpha     86.280(14)
_cell_angle_beta     89.967(19)
_cell_angle_gamma     78.456(19)
_cell_volume     1311.9(5)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     31
_cell_measurement_theta_min     4.953
_cell_measurement_theta_max     12.423
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     black
_exptl_crystal_size_max     0.22
_exptl_crystal_size_mid     0.18
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.969
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     778
_exptl_absorpt_coefficient_mu     2.025
_exptl_absorpt_correction_type     'psi-scan'
_exptl_absorpt_process_details     '(XSCANS; Bruker, 1996)'
_exptl_absorpt_correction_T_min     0.6521
_exptl_absorpt_correction_T_max     0.8163
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker P4'
_diffrn_measurement_method     /w
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6527
_diffrn_reflns_av_R_equivalents     0.0944
_diffrn_reflns_av_sigmaI/netI     0.2352
_diffrn_reflns_theta_min     1.99
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -8
_diffrn_reflns_limit_h_max     1
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_diffrn_standards_number     97
_diffrn_standards_interval_count     3
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     1
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     5159
_reflns_number_gt     1927
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.2297
_refine_ls_R_factor_gt     0.1001
_refine_ls_wR_factor_gt     0.2142
_refine_ls_wR_factor_ref     0.2806
_refine_ls_goodness_of_fit_ref     0.919
_refine_ls_restrained_S_all     0.918
_refine_ls_number_reflns     5159
_refine_ls_number_parameters     289
_refine_ls_number_restraints     8
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.1192P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.912
_refine_diff_density_min     -1.064
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Co' 'Co' 0.3494 0.9721
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'XSCANS (Bruker, 1996)'
_computing_cell_refinement     'XSCANS (Bruker, 1996)'
_computing_data_reduction     'XSCANS (Bruker, 1996)'
_computing_structure_solution     'SIR (Altomare et al.,  1999)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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_disorder_assembly
    _atom_site_disorder_group
    C C11 0.271(3) 0.0230(19) 0.6376(9) 0.068(6) Uani d D 1 . .
    H H11A 0.2624 0.0986 0.6671 0.081 Uiso calc R 1 . .
    H H11B 0.1845 -0.0397 0.6542 0.081 Uiso calc R 1 . .
    C C12 0.487(2) -0.0600(19) 0.6370(11) 0.085(7) Uani d DU 1 . .
    H H12A 0.4917 -0.1379 0.6090 0.102 Uiso calc R 1 . .
    H H12B 0.5226 -0.1013 0.6809 0.102 Uiso calc R 1 . .
    C C1 0.557(2) 0.4107(18) 1.1811(8) 0.051(5) Uani d . 1 . .
    H H1A 0.6758 0.3413 1.1952 0.061 Uiso calc R 1 . .
    H H1B 0.5116 0.4665 1.2180 0.061 Uiso calc R 1 . .
    C C2 0.397(2) 0.3341(16) 1.1632(8) 0.041(4) Uani d . 1 . .
    H H2A 0.3816 0.2680 1.1997 0.049 Uiso calc R 1 . .
    H H2B 0.4443 0.2784 1.1265 0.049 Uiso calc R 1 . .
    C C3 0.397(2) 0.5999(16) 1.0767(7) 0.035(4) Uani d . 1 . .
    C C4 0.218(2) 0.5659(13) 1.0853(7) 0.029(3) Uani d . 1 . .
    C C5 0.161(2) 0.7692(15) 0.9978(7) 0.035(4) Uani d . 1 . .
    C C6 0.076(2) 0.8723(13) 0.9480(7) 0.023(3) Uani d . 1 . .
    C C7 0.023(2) 1.0697(16) 0.8548(7) 0.035(4) Uani d . 1 . .
    C C8 -0.155(2) 1.0292(14) 0.8635(7) 0.034(4) Uani d . 1 . .
    C C9 -0.106(3) 1.2069(19) 0.7415(9) 0.061(6) Uani d . 1 . .
    H H9A -0.0977 1.2849 0.7099 0.073 Uiso calc R 1 . .
    H H9B -0.0827 1.1209 0.7181 0.073 Uiso calc R 1 . .
    C C10 -0.304(3) 1.228(2) 0.7659(9) 0.069(6) Uani d . 1 . .
    H H10A -0.3953 1.2454 0.7286 0.082 Uiso calc R 1 . .
    H H10B -0.3260 1.3151 0.7888 0.082 Uiso calc R 1 . .
    C C13 0.350(2) 0.2161(15) 0.5480(7) 0.035(4) Uani d . 1 . .
    C C14 0.542(2) 0.1863(16) 0.5711(8) 0.040(4) Uani d . 1 . .
    C C15 0.485(3) 0.4319(15) 0.5147(9) 0.045(4) Uani d . 1 . .
    Cl Cl1 0.0026(7) 0.7913(4) 0.7470(2) 0.0460(11) Uani d . 1 . .
    Cl Cl2 -0.2946(7) 0.5703(5) 0.6666(2) 0.0563(13) Uani d . 1 . .
    Cl Cl3 0.0831(8) 0.7338(5) 0.5751(2) 0.0546(13) Uani d . 1 . .
    Cl Cl4 0.2378(7) 0.4170(4) 0.6910(2) 0.0529(12) Uani d . 1 . .
    Co Co01 0.0140(4) 0.6252(2) 0.67099(11) 0.0402(6) Uani d . 1 . .
    S S1 0.6258(6) 0.5265(5) 1.1162(2) 0.0508(13) Uani d . 1 . .
    S S2 0.1496(6) 0.4391(4) 1.1417(2) 0.0426(11) Uani d . 1 . .
    S S3 0.4092(6) 0.7397(4) 1.0199(2) 0.0373(10) Uani d . 1 . .
    S S4 0.0217(6) 0.6592(4) 1.0356(2) 0.0351(10) Uani d . 1 . .
    S S5 0.2191(6) 0.9787(4) 0.9081(2) 0.0371(10) Uani d . 1 . .
    S S6 -0.1704(6) 0.9004(4) 0.9241(2) 0.0370(10) Uani d . 1 . .
    S S7 0.0938(6) 1.1928(4) 0.7998(2) 0.0388(11) Uani d . 1 . .
    S S8 -0.3763(6) 1.0934(5) 0.8193(2) 0.0439(11) Uani d . 1 . .
    S S9 0.1832(8) 0.0971(5) 0.5591(2) 0.0572(14) Uani d . 1 . .
    S S10 0.6771(8) 0.0341(5) 0.6107(3) 0.0673(16) Uani d D 1 . .
    S S11 0.2669(7) 0.3772(5) 0.5071(2) 0.0536(13) Uani d . 1 . .
    S S12 0.6655(6) 0.3251(4) 0.5600(2) 0.0450(12) Uani d . 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C11 C12 . 1.527(10) ?
    C11 S9 . 1.772(17) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 S10 . 1.782(9) ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C1 C2 . 1.49(2) ?
    C1 S1 . 1.803(16) ?
    C1 H1A . 0.9700 ?
    C1 H1B . 0.9700 ?
    C2 S2 . 1.818(15) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 C4 . 1.333(19) ?
    C3 S3 . 1.738(14) ?
    C3 S1 . 1.747(16) ?
    C4 S4 . 1.739(14) ?
    C4 S2 . 1.756(13) ?
    C5 C6 . 1.416(18) ?
    C5 S3 . 1.708(15) ?
    C5 S4 . 1.708(13) ?
    C6 S6 . 1.706(14) ?
    C6 S5 . 1.720(13) ?
    C7 C8 . 1.35(2) ?
    C7 S7 . 1.723(14) ?
    C7 S5 . 1.774(15) ?
    C8 S6 . 1.717(14) ?
    C8 S8 . 1.735(16) ?
    C9 C10 . 1.42(2) ?
    C9 S7 . 1.786(17) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 S8 . 1.791(17) ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C13 C14 . 1.36(2) ?
    C13 S11 . 1.708(14) ?
    C13 S9 . 1.771(15) ?
    C14 S12 . 1.719(14) ?
    C14 S10 . 1.720(15) ?
    C15 C15 2_666 1.46(3) ?
    C15 S12 . 1.672(17) ?
    C15 S11 . 1.679(16) ?
    Co1 Cl1 . 2.296(5) y
    Co1 Cl2 . 2.265(5) y
    Co1 Cl3 . 2.259(5) y
    Co1 Cl4 . 2.276(5) y
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
    _geom_angle_publ_flag
    C12 C11 S9 . . 112.6(14) ?
    C12 C11 H11A . . 109.1 ?
    S9 C11 H11A . . 109.1 ?
    C12 C11 H11B . . 109.1 ?
    S9 C11 H11B . . 109.1 ?
    H11A C11 H11B . . 107.8 ?
    C11 C12 S10 . . 117.6(12) ?
    C11 C12 H12A . . 107.9 ?
    S10 C12 H12A . . 107.9 ?
    C11 C12 H12B . . 107.9 ?
    S10 C12 H12B . . 107.9 ?
    H12A C12 H12B . . 107.2 ?
    C2 C1 S1 . . 114.6(12) ?
    C2 C1 H1A . . 108.6 ?
    S1 C1 H1A . . 108.6 ?
    C2 C1 H1B . . 108.6 ?
    S1 C1 H1B . . 108.6 ?
    H1A C1 H1B . . 107.6 ?
    C1 C2 S2 . . 117.9(11) ?
    C1 C2 H2A . . 107.8 ?
    S2 C2 H2A . . 107.8 ?
    C1 C2 H2B . . 107.8 ?
    S2 C2 H2B . . 107.8 ?
    H2A C2 H2B . . 107.2 ?
    C4 C3 S3 . . 116.7(12) ?
    C4 C3 S1 . . 129.2(11) ?
    S3 C3 S1 . . 114.1(8) ?
    C3 C4 S4 . . 116.9(10) ?
    C3 C4 S2 . . 128.5(12) ?
    S4 C4 S2 . . 114.6(8) ?
    C6 C5 S3 . . 122.8(10) ?
    C6 C5 S4 . . 120.8(11) ?
    S3 C5 S4 . . 116.3(8) ?
    C5 C6 S6 . . 123.3(10) ?
    C5 C6 S5 . . 120.7(11) ?
    S6 C6 S5 . . 116.0(8) ?
    C8 C7 S7 . . 131.0(12) ?
    C8 C7 S5 . . 114.8(11) ?
    S7 C7 S5 . . 114.2(9) ?
    C7 C8 S6 . . 118.0(12) ?
    C7 C8 S8 . . 127.0(11) ?
    S6 C8 S8 . . 115.0(9) ?
    C10 C9 S7 . . 117.0(15) ?
    C10 C9 H9A . . 108.0 ?
    S7 C9 H9A . . 108.0 ?
    C10 C9 H9B . . 108.0 ?
    S7 C9 H9B . . 108.0 ?
    H9A C9 H9B . . 107.3 ?
    C9 C10 S8 . . 119.3(14) ?
    C9 C10 H10A . . 107.5 ?
    S8 C10 H10A . . 107.5 ?
    C9 C10 H10B . . 107.5 ?
    S8 C10 H10B . . 107.5 ?
    H10A C10 H10B . . 107.0 ?
    C14 C13 S11 . . 117.8(11) ?
    C14 C13 S9 . . 123.2(11) ?
    S11 C13 S9 . . 119.0(9) ?
    C13 C14 S12 . . 113.9(11) ?
    C13 C14 S10 . . 130.2(11) ?
    S12 C14 S10 . . 115.8(9) ?
    C15 C15 S12 2_666 . 121.2(17) ?
    C15 C15 S11 2_666 . 122.1(17) ?
    S12 C15 S11 . . 116.7(8) ?
    Cl3 Co01 Cl2 . . 110.4(2) ?
    Cl3 Co01 Cl4 . . 110.28(19) ?
    Cl2 Co01 Cl4 . . 106.69(18) ?
    Cl3 Co01 Cl1 . . 105.49(17) ?
    Cl2 Co01 Cl1 . . 107.4(2) ?
    Cl4 Co01 Cl1 . . 116.55(19) ?
    C3 S1 C1 . . 103.6(7) ?
    C4 S2 C2 . . 99.8(7) ?
    C5 S3 C3 . . 95.1(7) ?
    C5 S4 C4 . . 95.0(7) ?
    C6 S5 C7 . . 95.2(7) ?
    C6 S6 C8 . . 96.0(7) ?
    C7 S7 C9 . . 98.3(8) ?
    C8 S8 C10 . . 101.3(8) ?
    C13 S9 C11 . . 97.4(8) ?
    C14 S10 C12 . . 103.2(8) ?
    C15 S11 C13 . . 94.8(7) ?
    C15 S12 C14 . . 96.2(7) ?
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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    S9 C11 C12 S10 . . . . 61(2) ?
    S1 C1 C2 S2 . . . . -63.6(17) ?
    S3 C3 C4 S4 . . . . 3.4(18) ?
    S1 C3 C4 S4 . . . . -178.5(10) ?
    S3 C3 C4 S2 . . . . -175.7(9) ?
    S1 C3 C4 S2 . . . . 2(2) ?
    S3 C5 C6 S6 . . . . 178.5(9) ?
    S4 C5 C6 S6 . . . . 2.7(19) ?
    S3 C5 C6 S5 . . . . -1.9(18) ?
    S4 C5 C6 S5 . . . . -177.7(8) ?
    S7 C7 C8 S6 . . . . 179.7(10) ?
    S5 C7 C8 S6 . . . . 0.9(18) ?
    S7 C7 C8 S8 . . . . 0(3) ?
    S5 C7 C8 S8 . . . . -178.9(9) ?
    S7 C9 C10 S8 . . . . -64(2) ?
    S11 C13 C14 S12 . . . . 4.6(19) ?
    S9 C13 C14 S12 . . . . -174.7(9) ?
    S11 C13 C14 S10 . . . . -176.7(11) ?
    S9 C13 C14 S10 . . . . 4(3) ?
    C4 C3 S1 C1 . . . . -8.6(18) ?
    S3 C3 S1 C1 . . . . 169.6(9) ?
    C2 C1 S1 C3 . . . . 37.9(15) ?
    C3 C4 S2 C2 . . . . -17.8(17) ?
    S4 C4 S2 C2 . . . . 163.1(9) ?
    C1 C2 S2 C4 . . . . 49.0(14) ?
    C6 C5 S3 C3 . . . . -176.9(13) ?
    S4 C5 S3 C3 . . . . -0.9(11) ?
    C4 C3 S3 C5 . . . . -1.4(14) ?
    S1 C3 S3 C5 . . . . -179.9(9) ?
    C6 C5 S4 C4 . . . . 178.4(13) ?
    S3 C5 S4 C4 . . . . 2.3(11) ?
    C3 C4 S4 C5 . . . . -3.4(14) ?
    S2 C4 S4 C5 . . . . 175.8(9) ?
    C5 C6 S5 C7 . . . . 178.4(12) ?
    S6 C6 S5 C7 . . . . -2.0(9) ?
    C8 C7 S5 C6 . . . . 0.7(14) ?
    S7 C7 S5 C6 . . . . -178.4(9) ?
    C5 C6 S6 C8 . . . . -178.0(13) ?
    S5 C6 S6 C8 . . . . 2.4(9) ?
    C7 C8 S6 C6 . . . . -2.0(14) ?
    S8 C8 S6 C6 . . . . 177.8(9) ?
    C8 C7 S7 C9 . . . . -18.6(19) ?
    S5 C7 S7 C9 . . . . 160.3(10) ?
    C10 C9 S7 C7 . . . . 49.3(16) ?
    C7 C8 S8 C10 . . . . -3.3(18) ?
    S6 C8 S8 C10 . . . . 176.9(10) ?
    C9 C10 S8 C8 . . . . 35.6(19) ?
    C14 C13 S9 C11 . . . . 34.6(17) ?
    S11 C13 S9 C11 . . . . -144.8(10) ?
    C12 C11 S9 C13 . . . . -64.9(14) ?
    C13 C14 S10 C12 . . . . -17(2) ?
    S12 C14 S10 C12 . . . . 161.7(11) ?
    C11 C12 S10 C14 . . . . -17(2) ?
    C15 C15 S11 C13 2_666 . . . 177(2) ?
    S12 C15 S11 C13 . . . . -5.1(12) ?
    C14 C13 S11 C15 . . . . 0.1(15) ?
    S9 C13 S11 C15 . . . . 179.5(11) ?
    C15 C15 S12 C14 2_666 . . . -175(2) ?
    S11 C15 S12 C14 . . . . 7.2(12) ?
    C13 C14 S12 C15 . . . . -6.9(15) ?
    S10 C14 S12 C15 . . . . 174.3(11) ?
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
    _geom_hbond_publ_flag
    C1 H1A Cl1 2_667 0.97 2.55 3.494(16) 165 y
    C1 H1B Cl2 2_567 0.97 2.83 3.591(16) 136 y
    C10 H10A Cl4 1_465 0.97 2.78 3.57(2) 139 y
