#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/84/4328458.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_4328458
loop_
_publ_author_name
'Kathryn George'
'Marek Jura'
'William Levason'
'Mark E. Light'
'Luke P. Ollivere'
'Gillian Reid'
_publ_contact_author_address
;   School of Chemistry
    University of Southampton
    Southampton SO17 1BJ, UK
;
_publ_contact_author_email       gr@soton.ac.uk
_publ_contact_author_fax         '023 8059 3781'
_publ_contact_author_name        'Professor Gillian Reid'
_publ_contact_author_phone       '023 8059 3609'
_publ_section_title
;
 Unexpected Reactivity and Coordination in Gallium(III) and Indium(III)
 Chloride Complexes With Geometrically Constrained Thio- and Selenoether
 Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2231
_journal_page_last               2240
_journal_paper_doi               10.1021/ic202670v
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C12 H24 Cl2 Ga S4 1+, Cl4 Ga 1-'
_chemical_formula_sum            'C12 H24 Cl6 Ga2 S4'
_chemical_formula_weight         648.69
_chemical_name_systematic
; 
 dichloro(1,5,9,13-tetrathiacyclohexadecane)gallium(III) tetrachlorogallate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_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_author_name               'Kathryn George'
_audit_creation_date             2011-06-17
_audit_creation_method           'SHELXL-97 + hand edit'
_audit_update_record             '2011-09-08  Relabelled (Ga,Cl) & sorted atoms'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.711(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.503(4)
_cell_length_b                   21.168(5)
_cell_length_c                   15.591(3)
_cell_measurement_reflns_used    64754
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     4703.0(19)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics
;
Images generated using CrystalMaker: a crystal and molecular 
structures program for Mac and Windows. CrystalMaker Software Ltd, 
Oxford, England (www.crystalmaker.com)
;
_computing_publication_material  'WINGX (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker-Nonius CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans to fill the asymmetric unit'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker Nonius FR591 Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1232
_diffrn_reflns_av_sigmaI/netI    0.1163
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            31853
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.325
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_description       plate
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.253
_refine_diff_density_min         -1.024
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         8246
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.1895
_refine_ls_R_factor_gt           0.0980
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0798P)²+112.2276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2099
_refine_ls_wR_factor_ref         0.2670
_reflns_number_gt                4648
_reflns_number_total             8246
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic202670v_si_001_2.cif
_cod_data_source_block           11kg09a
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        4703.1(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4328458
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
Ga1 Ga 1.0000 0.0000 0.5000 0.0210(5) Uani 1 2 d S
Ga2 Ga 0.5000 1.0000 1.0000 0.0204(5) Uani 1 2 d S
Ga3 Ga 0.0000 0.0000 1.0000 0.0226(5) Uani 1 2 d S
Ga4 Ga 0.0000 0.5000 0.0000 0.0203(5) Uani 1 2 d S
Ga5 Ga 0.21656(11) 0.75508(8) 0.22464(10) 0.0289(4) Uani 1 1 d .
Ga6 Ga 0.80096(11) 0.25090(8) 0.28612(11) 0.0299(4) Uani 1 1 d .
Cl1 Cl 0.8716(2) 0.02945(18) 0.4008(2) 0.0285(8) Uani 1 1 d .
Cl2 Cl 0.4235(2) 1.05953(18) 0.8857(2) 0.0301(8) Uani 1 1 d .
Cl3 Cl -0.1108(2) 0.00909(19) 0.8746(2) 0.0294(9) Uani 1 1 d .
Cl4 Cl 0.0988(2) 0.5109(2) 0.1322(2) 0.0348(9) Uani 1 1 d .
Cl5 Cl 0.0712(3) 0.7391(2) 0.2378(3) 0.0391(10) Uani 1 1 d .
Cl6 Cl 0.2470(3) 0.85538(19) 0.2428(2) 0.0370(9) Uani 1 1 d .
Cl7 Cl 0.2344(3) 0.7272(2) 0.0944(3) 0.0406(10) Uani 1 1 d .
Cl8 Cl 0.3101(3) 0.7026(2) 0.3241(3) 0.0467(11) Uani 1 1 d .
Cl9 Cl 0.7635(3) 0.1523(2) 0.2581(3) 0.0426(10) Uani 1 1 d .
Cl10 Cl 0.7750(3) 0.2741(2) 0.4158(3) 0.0461(11) Uani 1 1 d .
Cl11 Cl 0.7155(3) 0.3087(2) 0.1871(3) 0.0463(11) Uani 1 1 d .
Cl12 Cl 0.9493(3) 0.2618(2) 0.2825(3) 0.0422(10) Uani 1 1 d .
S1 S 0.9181(3) -0.10263(18) 0.5183(2) 0.0273(8) Uani 1 1 d .
S2 S 0.9363(2) 0.04749(18) 0.6231(2) 0.0252(8) Uani 1 1 d .
S3 S 0.4903(2) 0.90758(18) 0.8973(2) 0.0263(8) Uani 1 1 d .
S4 S 0.6544(2) 1.02748(19) 0.9661(2) 0.0279(9) Uani 1 1 d .
S5 S 0.1107(2) -0.05501(19) 0.9211(2) 0.0275(8) Uani 1 1 d .
S6 S 0.0701(3) 0.10415(19) 0.9723(2) 0.0289(9) Uani 1 1 d .
S7 S -0.1293(2) 0.55431(19) 0.0566(2) 0.0263(8) Uani 1 1 d .
S8 S -0.0578(3) 0.3963(2) 0.0423(3) 0.0342(9) Uani 1 1 d .
C1 C 1.0397(11) -0.1706(8) 0.4325(10) 0.035(4) Uani 1 1 d .
H1A H 1.0653 -0.2138 0.4301 0.042 Uiso 1 1 calc R
H1B H 0.9854 -0.1666 0.3838 0.042 Uiso 1 1 calc R
C2 C 1.0046(11) -0.1632(7) 0.5183(10) 0.035(4) Uani 1 1 d .
H2A H 1.0590 -0.1539 0.5651 0.042 Uiso 1 1 calc R
H2B H 0.9777 -0.2040 0.5326 0.042 Uiso 1 1 calc R
C3 C 0.9166(10) -0.1015(7) 0.6334(9) 0.027(3) Uani 1 1 d .
H3A H 0.9097 -0.1453 0.6533 0.032 Uiso 1 1 calc R
H3B H 0.9777 -0.0853 0.6647 0.032 Uiso 1 1 calc R
C4 C 0.8402(10) -0.0621(7) 0.6578(9) 0.032(4) Uani 1 1 d .
H4A H 0.8527 -0.0570 0.7220 0.039 Uiso 1 1 calc R
H4B H 0.7804 -0.0855 0.6417 0.039 Uiso 1 1 calc R
C5 C 0.8270(11) 0.0030(8) 0.6169(10) 0.036(4) Uani 1 1 d .
H5A H 0.7838 0.0276 0.6464 0.044 Uiso 1 1 calc R
H5B H 0.7969 -0.0015 0.5548 0.044 Uiso 1 1 calc R
C6 C 0.8874(11) 0.1247(7) 0.5818(10) 0.031(4) Uani 1 1 d .
H6A H 0.8433 0.1181 0.5259 0.037 Uiso 1 1 calc R
H6B H 0.8515 0.1428 0.6240 0.037 Uiso 1 1 calc R
C7 C 0.6146(9) 0.8867(7) 0.9093(9) 0.022(3) Uani 1 1 d .
H7A H 0.6458 0.8924 0.9709 0.027 Uiso 1 1 calc R
H7B H 0.6204 0.8417 0.8937 0.027 Uiso 1 1 calc R
C8 C 0.5497(10) 1.1585(8) 1.0452(10) 0.033(4) Uani 1 1 d .
H8A H 0.5056 1.1644 0.9892 0.039 Uiso 1 1 calc R
H8B H 0.5476 1.1972 1.0803 0.039 Uiso 1 1 calc R
C9 C 0.6462(11) 1.1509(7) 1.0270(10) 0.033(4) Uani 1 1 d .
H9A H 0.6854 1.1296 1.0774 0.039 Uiso 1 1 calc R
H9B H 0.6732 1.1934 1.0217 0.039 Uiso 1 1 calc R
C10 C 0.6516(11) 1.1138(7) 0.9453(9) 0.032(4) Uani 1 1 d .
H10A H 0.7088 1.1262 0.9234 0.038 Uiso 1 1 calc R
H10B H 0.5966 1.1240 0.8996 0.038 Uiso 1 1 calc R
C11 C 0.6428(10) 0.9991(7) 0.8539(9) 0.026(3) Uani 1 1 d .
H11A H 0.5781 1.0073 0.8224 0.032 Uiso 1 1 calc R
H11B H 0.6864 1.0230 0.8242 0.032 Uiso 1 1 calc R
C12 C 0.6638(11) 0.9288(7) 0.8495(8) 0.027(3) Uani 1 1 d .
H12A H 0.7325 0.9225 0.8659 0.033 Uiso 1 1 calc R
H12B H 0.6443 0.9144 0.7884 0.033 Uiso 1 1 calc R
C13 C 0.1462(10) 0.0565(8) 0.8335(9) 0.036(4) Uani 1 1 d .
H13A H 0.2019 0.0558 0.8811 0.043 Uiso 1 1 calc R
H13B H 0.1673 0.0706 0.7797 0.043 Uiso 1 1 calc R
C14 C 0.1078(11) -0.0109(8) 0.8193(9) 0.032(4) Uani 1 1 d .
H14A H 0.1451 -0.0341 0.7824 0.038 Uiso 1 1 calc R
H14B H 0.0422 -0.0090 0.7872 0.038 Uiso 1 1 calc R
C15 C -0.0409(10) 0.1227(7) 1.1242(9) 0.030(4) Uani 1 1 d .
H15A H -0.0643 0.1387 1.1759 0.036 Uiso 1 1 calc R
H15B H 0.0253 0.1097 1.1432 0.036 Uiso 1 1 calc R
C16 C -0.0465(10) 0.1752(7) 1.0562(9) 0.029(4) Uani 1 1 d .
H16A H -0.1086 0.1957 1.0507 0.035 Uiso 1 1 calc R
H16B H 0.0015 0.2074 1.0788 0.035 Uiso 1 1 calc R
C17 C -0.0328(10) 0.1559(7) 0.9652(9) 0.029(3) Uani 1 1 d .
H17A H -0.0240 0.1941 0.9310 0.035 Uiso 1 1 calc R
H17B H -0.0894 0.1335 0.9347 0.035 Uiso 1 1 calc R
C18 C 0.0778(10) 0.1041(8) 0.8560(8) 0.031(4) Uani 1 1 d .
H18A H 0.0149 0.0951 0.8211 0.037 Uiso 1 1 calc R
H18B H 0.0967 0.1467 0.8396 0.037 Uiso 1 1 calc R
C19 C 0.0813(13) 0.3246(9) -0.0145(11) 0.048(5) Uani 1 1 d .
H19A H 0.1472 0.3104 0.0025 0.058 Uiso 1 1 calc R
H19B H 0.0426 0.2869 -0.0339 0.058 Uiso 1 1 calc R
C20 C -0.0749(12) 0.6309(8) 0.0903(11) 0.041(4) Uani 1 1 d .
H20A H -0.1066 0.6500 0.1351 0.049 Uiso 1 1 calc R
H20B H -0.0081 0.6244 0.1169 0.049 Uiso 1 1 calc R
C21 C -0.1288(10) 0.5196(8) 0.1627(9) 0.033(4) Uani 1 1 d .
H21A H -0.0650 0.5233 0.1984 0.040 Uiso 1 1 calc R
H21B H -0.1722 0.5436 0.1925 0.040 Uiso 1 1 calc R
C22 C -0.1583(10) 0.4490(8) 0.1578(10) 0.037(4) Uani 1 1 d .
H22A H -0.1851 0.4382 0.2099 0.044 Uiso 1 1 calc R
H22B H -0.2078 0.4424 0.1056 0.044 Uiso 1 1 calc R
C23 C -0.0786(10) 0.4059(8) 0.1532(10) 0.034(4) Uani 1 1 d .
H23A H -0.0916 0.3640 0.1766 0.041 Uiso 1 1 calc R
H23B H -0.0211 0.4229 0.1904 0.041 Uiso 1 1 calc R
C24 C 0.0497(11) 0.3520(8) 0.0663(11) 0.039(4) Uani 1 1 d .
H24A H 0.0999 0.3798 0.0973 0.047 Uiso 1 1 calc R
H24B H 0.0415 0.3168 0.1061 0.047 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Ga Ga 0.2307 1.6083 '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
Cl1 Ga1 Cl1 180.00(15) . 3_756
Cl1 Ga1 S2 92.27(12) . .
Cl1 Ga1 S2 87.73(12) 3_756 .
Cl1 Ga1 S2 87.73(12) . 3_756
Cl1 Ga1 S2 92.27(12) 3_756 3_756
S2 Ga1 S2 180.00(9) . 3_756
Cl1 Ga1 S1 91.72(12) . 3_756
Cl1 Ga1 S1 88.28(12) 3_756 3_756
S2 Ga1 S1 89.40(12) . 3_756
S2 Ga1 S1 90.60(12) 3_756 3_756
Cl1 Ga1 S1 88.28(12) . .
Cl1 Ga1 S1 91.72(12) 3_756 .
S2 Ga1 S1 90.60(12) . .
S2 Ga1 S1 89.40(12) 3_756 .
S1 Ga1 S1 180.000(1) 3_756 .
Cl2 Ga2 Cl2 180.000(1) . 3_677
Cl2 Ga2 S4 91.81(13) . .
Cl2 Ga2 S4 88.19(13) 3_677 .
Cl2 Ga2 S4 88.19(13) . 3_677
Cl2 Ga2 S4 91.81(13) 3_677 3_677
S4 Ga2 S4 180.000(1) . 3_677
Cl2 Ga2 S3 91.65(12) . 3_677
Cl2 Ga2 S3 88.35(12) 3_677 3_677
S4 Ga2 S3 90.43(12) . 3_677
S4 Ga2 S3 89.57(12) 3_677 3_677
Cl2 Ga2 S3 88.35(12) . .
Cl2 Ga2 S3 91.65(12) 3_677 .
S4 Ga2 S3 89.57(12) . .
S4 Ga2 S3 90.43(12) 3_677 .
S3 Ga2 S3 180.000(1) 3_677 .
Cl3 Ga3 Cl3 180.000(1) . 3_557
Cl3 Ga3 S5 91.83(12) . .
Cl3 Ga3 S5 88.17(12) 3_557 .
Cl3 Ga3 S5 88.17(12) . 3_557
Cl3 Ga3 S5 91.83(12) 3_557 3_557
S5 Ga3 S5 180.000(1) . 3_557
Cl3 Ga3 S6 91.24(12) . .
Cl3 Ga3 S6 88.76(13) 3_557 .
S5 Ga3 S6 90.40(13) . .
S5 Ga3 S6 89.60(13) 3_557 .
Cl3 Ga3 S6 88.76(13) . 3_557
Cl3 Ga3 S6 91.24(12) 3_557 3_557
S5 Ga3 S6 89.60(13) . 3_557
S5 Ga3 S6 90.40(13) 3_557 3_557
S6 Ga3 S6 180.0 . 3_557
Cl4 Ga4 Cl4 180.000(1) 3_565 .
Cl4 Ga4 S8 92.01(14) 3_565 3_565
Cl4 Ga4 S8 87.99(14) . 3_565
Cl4 Ga4 S8 87.99(14) 3_565 .
Cl4 Ga4 S8 92.01(14) . .
S8 Ga4 S8 180.00(18) 3_565 .
Cl4 Ga4 S7 88.81(12) 3_565 .
Cl4 Ga4 S7 91.19(12) . .
S8 Ga4 S7 89.98(13) 3_565 .
S8 Ga4 S7 90.02(13) . .
Cl4 Ga4 S7 91.19(12) 3_565 3_565
Cl4 Ga4 S7 88.81(12) . 3_565
S8 Ga4 S7 90.02(13) 3_565 3_565
S8 Ga4 S7 89.98(13) . 3_565
S7 Ga4 S7 180.00(16) . 3_565
Cl8 Ga5 Cl7 111.16(19) . .
Cl8 Ga5 Cl6 108.81(18) . .
Cl7 Ga5 Cl6 109.26(17) . .
Cl8 Ga5 Cl5 109.90(17) . .
Cl7 Ga5 Cl5 109.30(17) . .
Cl6 Ga5 Cl5 108.36(18) . .
Cl11 Ga6 Cl12 111.02(18) . .
Cl11 Ga6 Cl10 111.01(19) . .
Cl12 Ga6 Cl10 110.01(18) . .
Cl11 Ga6 Cl9 108.02(18) . .
Cl12 Ga6 Cl9 107.88(18) . .
Cl10 Ga6 Cl9 108.79(18) . .
C2 S1 C3 98.5(7) . .
C2 S1 Ga1 105.8(6) . .
C3 S1 Ga1 101.2(5) . .
C5 S2 C6 99.4(7) . .
C5 S2 Ga1 101.1(5) . .
C6 S2 Ga1 105.1(5) . .
C8 S3 C7 99.4(7) 3_677 .
C8 S3 Ga2 105.7(5) 3_677 .
C7 S3 Ga2 100.7(5) . .
C11 S4 C10 99.3(7) . .
C11 S4 Ga2 101.6(5) . .
C10 S4 Ga2 106.2(5) . .
C15 S5 C14 98.3(7) 3_557 .
C15 S5 Ga3 101.4(5) 3_557 .
C14 S5 Ga3 106.1(5) . .
C18 S6 C17 98.0(7) . .
C18 S6 Ga3 105.7(5) . .
C17 S6 Ga3 100.7(5) . .
C21 S7 C20 99.7(7) . .
C21 S7 Ga4 105.1(6) . .
C20 S7 Ga4 101.4(5) . .
C24 S8 C23 98.7(7) . .
C24 S8 Ga4 101.2(6) . .
C23 S8 Ga4 106.1(6) . .
C6 C1 C2 115.3(13) 3_756 .
C6 C1 H1A 108.5 3_756 .
C2 C1 H1A 108.5 . .
C6 C1 H1B 108.5 3_756 .
C2 C1 H1B 108.5 . .
H1A C1 H1B 107.5 . .
C1 C2 S1 114.9(11) . .
C1 C2 H2A 108.5 . .
S1 C2 H2A 108.5 . .
C1 C2 H2B 108.5 . .
S1 C2 H2B 108.5 . .
H2A C2 H2B 107.5 . .
C4 C3 S1 114.2(10) . .
C4 C3 H3A 108.7 . .
S1 C3 H3A 108.7 . .
C4 C3 H3B 108.7 . .
S1 C3 H3B 108.7 . .
H3A C3 H3B 107.6 . .
C3 C4 C5 116.3(13) . .
C3 C4 H4A 108.2 . .
C5 C4 H4A 108.2 . .
C3 C4 H4B 108.2 . .
C5 C4 H4B 108.2 . .
H4A C4 H4B 107.4 . .
C4 C5 S2 113.9(10) . .
C4 C5 H5A 108.8 . .
S2 C5 H5A 108.8 . .
C4 C5 H5B 108.8 . .
S2 C5 H5B 108.8 . .
H5A C5 H5B 107.7 . .
C1 C6 S2 113.2(11) 3_756 .
C1 C6 H6A 108.9 3_756 .
S2 C6 H6A 108.9 . .
C1 C6 H6B 108.9 3_756 .
S2 C6 H6B 108.9 . .
H6A C6 H6B 107.8 . .
C12 C7 S3 110.7(10) . .
C12 C7 H7A 109.5 . .
S3 C7 H7A 109.5 . .
C12 C7 H7B 109.5 . .
S3 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C9 C8 S3 114.2(12) . 3_677
C9 C8 H8A 108.7 . .
S3 C8 H8A 108.7 3_677 .
C9 C8 H8B 108.7 . .
S3 C8 H8B 108.7 3_677 .
H8A C8 H8B 107.6 . .
C8 C9 C10 114.5(13) . .
C8 C9 H9A 108.6 . .
C10 C9 H9A 108.6 . .
C8 C9 H9B 108.6 . .
C10 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
C9 C10 S4 111.6(11) . .
C9 C10 H10A 109.3 . .
S4 C10 H10A 109.3 . .
C9 C10 H10B 109.3 . .
S4 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
C12 C11 S4 112.4(10) . .
C12 C11 H11A 109.1 . .
S4 C11 H11A 109.1 . .
C12 C11 H11B 109.1 . .
S4 C11 H11B 109.1 . .
H11A C11 H11B 107.9 . .
C11 C12 C7 114.5(12) . .
C11 C12 H12A 108.6 . .
C7 C12 H12A 108.6 . .
C11 C12 H12B 108.6 . .
C7 C12 H12B 108.6 . .
H12A C12 H12B 107.6 . .
C18 C13 C14 114.8(12) . .
C18 C13 H13A 108.6 . .
C14 C13 H13A 108.6 . .
C18 C13 H13B 108.6 . .
C14 C13 H13B 108.6 . .
H13A C13 H13B 107.5 . .
C13 C14 S5 113.5(10) . .
C13 C14 H14A 108.9 . .
S5 C14 H14A 108.9 . .
C13 C14 H14B 108.9 . .
S5 C14 H14B 108.9 . .
H14A C14 H14B 107.7 . .
C16 C15 S5 110.5(9) . 3_557
C16 C15 H15A 109.6 . .
S5 C15 H15A 109.6 3_557 .
C16 C15 H15B 109.6 . .
S5 C15 H15B 109.6 3_557 .
H15A C15 H15B 108.1 . .
C17 C16 C15 116.9(13) . .
C17 C16 H16A 108.1 . .
C15 C16 H16A 108.1 . .
C17 C16 H16B 108.1 . .
C15 C16 H16B 108.1 . .
H16A C16 H16B 107.3 . .
C16 C17 S6 110.4(9) . .
C16 C17 H17A 109.6 . .
S6 C17 H17A 109.6 . .
C16 C17 H17B 109.6 . .
S6 C17 H17B 109.6 . .
H17A C17 H17B 108.1 . .
C13 C18 S6 113.3(10) . .
C13 C18 H18A 108.9 . .
S6 C18 H18A 108.9 . .
C13 C18 H18B 108.9 . .
S6 C18 H18B 108.9 . .
H18A C18 H18B 107.7 . .
C20 C19 C24 115.3(14) 3_565 .
C20 C19 H19A 108.5 3_565 .
C24 C19 H19A 108.5 . .
C20 C19 H19B 108.5 3_565 .
C24 C19 H19B 108.5 . .
H19A C19 H19B 107.5 . .
C19 C20 S7 111.6(12) 3_565 .
C19 C20 H20A 109.3 3_565 .
S7 C20 H20A 109.3 . .
C19 C20 H20B 109.3 3_565 .
S7 C20 H20B 109.3 . .
H20A C20 H20B 108.0 . .
C22 C21 S7 113.0(10) . .
C22 C21 H21A 109.0 . .
S7 C21 H21A 109.0 . .
C22 C21 H21B 109.0 . .
S7 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
C23 C22 C21 112.6(13) . .
C23 C22 H22A 109.1 . .
C21 C22 H22A 109.1 . .
C23 C22 H22B 109.1 . .
C21 C22 H22B 109.1 . .
H22A C22 H22B 107.8 . .
C22 C23 S8 112.5(11) . .
C22 C23 H23A 109.1 . .
S8 C23 H23A 109.1 . .
C22 C23 H23B 109.1 . .
S8 C23 H23B 109.1 . .
H23A C23 H23B 107.8 . .
C19 C24 S8 114.0(12) . .
C19 C24 H24A 108.8 . .
S8 C24 H24A 108.8 . .
C19 C24 H24B 108.8 . .
S8 C24 H24B 108.8 . .
H24A C24 H24B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 Cl1 2.276(3) .
Ga1 Cl1 2.276(3) 3_756
Ga1 S2 2.492(4) .
Ga1 S2 2.492(4) 3_756
Ga1 S1 2.518(4) 3_756
Ga1 S1 2.518(4) .
Ga2 Cl2 2.293(3) .
Ga2 Cl2 2.293(3) 3_677
Ga2 S4 2.464(4) .
Ga2 S4 2.464(4) 3_677
Ga2 S3 2.515(4) 3_677
Ga2 S3 2.515(4) .
Ga3 Cl3 2.296(3) .
Ga3 Cl3 2.296(3) 3_557
Ga3 S5 2.486(4) .
Ga3 S5 2.486(4) 3_557
Ga3 S6 2.499(4) .
Ga3 S6 2.499(4) 3_557
Ga4 Cl4 2.292(3) 3_565
Ga4 Cl4 2.292(3) .
Ga4 S8 2.482(4) 3_565
Ga4 S8 2.482(4) .
Ga4 S7 2.496(4) .
Ga4 S7 2.496(4) 3_565
Ga5 Cl8 2.167(4) .
Ga5 Cl7 2.176(4) .
Ga5 Cl6 2.176(4) .
Ga5 Cl5 2.182(4) .
Ga6 Cl11 2.170(4) .
Ga6 Cl12 2.175(4) .
Ga6 Cl10 2.180(5) .
Ga6 Cl9 2.181(5) .
S1 C2 1.794(15) .
S1 C3 1.799(14) .
S2 C5 1.830(16) .
S2 C6 1.850(15) .
S3 C8 1.813(15) 3_677
S3 C7 1.830(14) .
S4 C11 1.828(14) .
S4 C10 1.854(16) .
S5 C15 1.820(15) 3_557
S5 C14 1.835(15) .
S6 C18 1.838(13) .
S6 C17 1.838(15) .
S7 C21 1.810(14) .
S7 C20 1.837(17) .
S8 C24 1.799(15) .
S8 C23 1.820(16) .
C1 C6 1.48(2) 3_756
C1 C2 1.52(2) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.49(2) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.52(2) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C1 1.48(2) 3_756
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C12 1.56(2) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.49(2) .
C8 S3 1.813(15) 3_677
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.51(2) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.52(2) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C18 1.50(2) .
C13 C14 1.53(2) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.53(2) .
C15 S5 1.820(15) 3_557
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.52(2) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.50(2) 3_565
C19 C24 1.53(2) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C19 1.50(2) 3_565
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.55(2) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.48(2) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
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
C6 C1 C2 S1 80.9(15) 3_756 .
C3 S1 C2 C1 -169.5(11) . .
C2 S1 C3 C4 -171.2(11) . .
S1 C3 C4 C5 -46.4(16) . .
C3 C4 C5 S2 -47.3(16) . .
C6 S2 C5 C4 -172.5(12) . .
C5 S2 C6 C1 -172.5(11) . 3_756
C8 S3 C7 C12 168.6(10) 3_677 .
S3 C8 C9 C10 84.2(15) 3_677 .
C8 C9 C10 S4 -83.9(15) . .
C11 S4 C10 C9 171.9(11) . .
C10 S4 C11 C12 167.6(11) . .
S4 C11 C12 C7 47.1(15) . .
S3 C7 C12 C11 47.2(14) . .
C18 C13 C14 S5 -81.8(13) . .
C15 S5 C14 C13 169.8(11) 3_557 .
S5 C15 C16 C17 -46.9(15) 3_557 .
C15 C16 C17 S6 -46.9(15) . .
C18 S6 C17 C16 -169.5(11) . .
C14 C13 C18 S6 82.5(13) . .
C17 S6 C18 C13 -170.1(11) . .
C21 S7 C20 C19 -170.0(12) . 3_565
C20 S7 C21 C22 -171.8(11) . .
S7 C21 C22 C23 85.0(14) . .
C21 C22 C23 S8 -84.3(14) . .
C24 S8 C23 C22 172.5(12) . .
C20 C19 C24 S8 45(2) 3_565 .
C23 S8 C24 C19 169.9(13) . .
