##############################################################################
###                                                                        ###
###        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 2.1.    #
#                                                                            #
# 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/  #
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##############################################################################
                                             
data_global
_audit_creation_method     'from SHELXL97 CIF and IUCr SHELXL97-template'
_journal_date_recd_electronic     2004-10-25
_journal_date_accepted     2004-10-27
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue     12
_journal_page_first     m1781
_journal_page_last     m1783
_journal_paper_category     EM
_publ_contact_author_name     'Dr. R. Alan Howie'
_publ_contact_author_address
;
Department of Chemistry,
University of Aberdeen,
Meston Walk,
Aberdeen AB24 3UE,
Scotland.
;
_publ_contact_author_email     'r.a.howie@abdn.ac.uk'
_publ_contact_author_fax     '44(1224)272921'
_publ_contact_author_phone     '44(1224)272907'
_publ_section_title
;
Bis(tetraphenylarsonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV)
acetone solvate at 120 K
;
loop_
    _publ_author_name
    _publ_author_address
    'Comerlato, Nadia M.'
;
Departamento de Química Inorgânica
Instituto de Química
Universidade Federal do Rio de Janeiro
CP 68563
21945-970 Rio de Janeiro
RJ
Brazil
;
    'Ferreira, Glaucio B.'
;
Departamento de Química Inorgânica
Instituto de Química
Universidade Federal do Rio de Janeiro
CP 68563
21945-970 Rio de Janeiro
RJ
Brazil
;
    'Howie, R. Alan'
;
Department of Chemistry
University of Aberdeen
Meston Walk
Aberdeen AB24 3UE
Scotland
;
    'Wardell, James L.'
;
Departamento de Química Inorgânica
Instituto de Química
Universidade Federal do Rio de Janeiro
CP 68563
21945-970 Rio de Janeiro
RJ
Brazil
;
data_I
_chemical_name_systematic
;
Bis(tetraphenylarsonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV)
acetone solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     '2C24 H20 As +, C9 S15 Sn 2-, C3 H6 O'
_chemical_formula_sum     'C60 H46 As2 O S15 Sn'
_chemical_formula_iupac     '(C24 H20 As)2 [Sn (C3 S5)3], C3 H6 O'
_chemical_formula_weight     1532.40
_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     11.2238(3)
_cell_length_b     14.7826(5)
_cell_length_c     19.9333(7)
_cell_angle_alpha     99.0800(12)
_cell_angle_beta     99.966(2)
_cell_angle_gamma     101.187(2)
_cell_volume     3132.15(17)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     20626
_cell_measurement_theta_min     2.91
_cell_measurement_theta_max     27.48
_cell_measurement_temperature     120(2)
_exptl_crystal_description     rod
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.36
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.03
_exptl_crystal_density_diffrn     1.625
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1540
_exptl_absorpt_coefficient_mu     1.997
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SORTAV; Blessing, 1995, 1997)'
_exptl_absorpt_correction_T_min     0.891
_exptl_absorpt_correction_T_max     0.943
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     120(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'Enraf--Nonius FR591 rotating anode'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius KappaCCD area-detector'
_diffrn_measurement_method     'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean     9.091
_diffrn_reflns_number     43056
_diffrn_reflns_av_R_equivalents     0.0741
_diffrn_reflns_av_sigmaI/netI     0.1259
_diffrn_reflns_theta_min     3.05
_diffrn_reflns_theta_max     27.49
_diffrn_reflns_theta_full     27.49
_diffrn_measured_fraction_theta_max     0.983
_diffrn_measured_fraction_theta_full     0.983
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -19
_diffrn_reflns_limit_k_max     19
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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 > 2sigma(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.
Anisotropic displacement parameters refined for all non-H including those of
the solvent acetone molecule. In the final stages H introduced in calculated
positions and refined with a riding model. Rotational orientation of rigid
body Me groups also refined.
;
_reflns_number_total     14151
_reflns_number_gt     8442
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1074
_refine_ls_R_factor_gt     0.0453
_refine_ls_wR_factor_gt     0.0668
_refine_ls_wR_factor_ref     0.0793
_refine_ls_goodness_of_fit_ref     0.927
_refine_ls_restrained_S_all     0.927
_refine_ls_number_reflns     14151
_refine_ls_number_parameters     714
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0212P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.901
_refine_diff_density_min     -0.793
_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'
    'As' 'As' 0.0499 2.0058
                         '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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Sn' 'Sn' -0.6537 1.4246
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
                    'DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_cell_refinement     'DENZO and COLLECT'
_computing_data_reduction     'DENZO and COLLECT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material     'SHELXL97 and PLATON (Spek, 2003)'
loop_
    _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
    _atom_site_type_symbol
    Sn1 0.31660(2) 0.484116(19) 0.220202(15) 0.01932(8) Uani d . 1 . . Sn
    S1 0.22146(9) 0.33307(7) 0.25654(6) 0.0258(3) Uani d . 1 . . S
    S2 0.47220(9) 0.38963(7) 0.18582(6) 0.0241(3) Uani d . 1 . . S
    C1 0.3590(3) 0.2966(3) 0.2760(2) 0.0215(10) Uani d . 1 . . C
    C2 0.4597(3) 0.3184(3) 0.2466(2) 0.0223(10) Uani d . 1 . . C
    S3 0.37496(9) 0.22662(8) 0.33834(6) 0.0305(3) Uani d . 1 . . S
    S4 0.58592(9) 0.27134(7) 0.27632(6) 0.0281(3) Uani d . 1 . . S
    C3 0.5232(3) 0.2111(3) 0.3339(2) 0.0270(10) Uani d . 1 . . C
    S5 0.59587(10) 0.14739(8) 0.38049(7) 0.0389(3) Uani d . 1 . . S
    S6 0.19519(9) 0.44182(7) 0.09420(6) 0.0257(3) Uani d . 1 . . S
    S7 0.12576(9) 0.54656(7) 0.23877(6) 0.0256(3) Uani d . 1 . . S
    C4 0.1407(3) 0.5454(3) 0.1029(2) 0.0240(10) Uani d . 1 . . C
    C5 0.1125(3) 0.5869(3) 0.1616(2) 0.0228(10) Uani d . 1 . . C
    S8 0.14237(9) 0.60875(8) 0.03591(6) 0.0288(3) Uani d . 1 . . S
    S9 0.08514(9) 0.70003(7) 0.16099(6) 0.0286(3) Uani d . 1 . . S
    C6 0.1066(3) 0.7081(3) 0.0766(2) 0.0276(11) Uani d . 1 . . C
    S10 0.09939(10) 0.80286(8) 0.04425(7) 0.0362(3) Uani d . 1 . . S
    S11 0.43187(9) 0.55017(7) 0.34460(6) 0.0231(2) Uani d . 1 . . S
    S12 0.43487(9) 0.62976(7) 0.18853(6) 0.0232(3) Uani d . 1 . . S
    C7 0.5226(3) 0.6537(3) 0.3316(2) 0.0198(9) Uani d . 1 . . C
    C8 0.5233(3) 0.6841(3) 0.2705(2) 0.0201(10) Uani d . 1 . . C
    S13 0.62314(9) 0.72711(7) 0.40456(6) 0.0260(3) Uani d . 1 . . S
    S14 0.62818(9) 0.79085(7) 0.27672(6) 0.0225(2) Uani d . 1 . . S
    C9 0.6866(3) 0.8149(3) 0.3648(2) 0.0219(10) Uani d . 1 . . C
    S15 0.79269(10) 0.91093(8) 0.40699(6) 0.0335(3) Uani d . 1 . . S
    As1 0.10599(3) 0.68939(3) 0.45402(2) 0.01758(10) Uani d . 1 . . As
    C10 0.1910(3) 0.5913(3) 0.4662(2) 0.0162(9) Uani d . 1 . . C
    C11 0.1458(3) 0.5016(3) 0.4263(2) 0.0207(10) Uani d . 1 . . C
    H11 0.0712 0.4874 0.3919 0.025 Uiso calc R 1 . . H
    C12 0.2115(3) 0.4325(3) 0.4373(2) 0.0245(10) Uani d . 1 . . C
    H12 0.1818 0.3708 0.4100 0.029 Uiso calc R 1 . . H
    C13 0.3197(4) 0.4532(3) 0.4876(2) 0.0261(11) Uani d . 1 . . C
    H13 0.3631 0.4055 0.4955 0.031 Uiso calc R 1 . . H
    C14 0.3646(3) 0.5435(3) 0.5265(2) 0.0238(10) Uani d . 1 . . C
    H14 0.4391 0.5577 0.5609 0.029 Uiso calc R 1 . . H
    C15 0.3018(3) 0.6127(3) 0.5156(2) 0.0210(10) Uani d . 1 . . C
    H15 0.3337 0.6750 0.5417 0.025 Uiso calc R 1 . . H
    C16 0.2186(3) 0.7909(3) 0.4335(2) 0.0177(9) Uani d . 1 . . C
    C17 0.2347(3) 0.8822(3) 0.4695(2) 0.0224(10) Uani d . 1 . . C
    H17 0.1884 0.8957 0.5040 0.027 Uiso calc R 1 . . H
    C18 0.3201(3) 0.9534(3) 0.4542(2) 0.0271(10) Uani d . 1 . . C
    H18 0.3321 1.0165 0.4779 0.033 Uiso calc R 1 . . H
    C19 0.3876(3) 0.9322(3) 0.4045(2) 0.0250(10) Uani d . 1 . . C
    H19 0.4478 0.9807 0.3952 0.030 Uiso calc R 1 . . H
    C20 0.3683(3) 0.8420(3) 0.3685(2) 0.0271(11) Uani d . 1 . . C
    H20 0.4137 0.8290 0.3335 0.032 Uiso calc R 1 . . H
    C21 0.2842(3) 0.7699(3) 0.3823(2) 0.0220(10) Uani d . 1 . . C
    H21 0.2713 0.7073 0.3573 0.026 Uiso calc R 1 . . H
    C22 0.0522(3) 0.7332(3) 0.5365(2) 0.0189(9) Uani d . 1 . . C
    C23 -0.0309(3) 0.7916(3) 0.5315(2) 0.0243(10) Uani d . 1 . . C
    H23 -0.0622 0.8057 0.4879 0.029 Uiso calc R 1 . . H
    C24 -0.0678(4) 0.8291(3) 0.5907(3) 0.0323(11) Uani d . 1 . . C
    H24 -0.1246 0.8690 0.5879 0.039 Uiso calc R 1 . . H
    C25 -0.0216(4) 0.8081(3) 0.6538(2) 0.0322(11) Uani d . 1 . . C
    H25 -0.0454 0.8351 0.6944 0.039 Uiso calc R 1 . . H
    C26 0.0586(4) 0.7484(3) 0.6587(2) 0.0306(11) Uani d . 1 . . C
    H26 0.0872 0.7325 0.7021 0.037 Uiso calc R 1 . . H
    C27 0.0973(3) 0.7118(3) 0.5998(2) 0.0221(10) Uani d . 1 . . C
    H27 0.1544 0.6722 0.6029 0.027 Uiso calc R 1 . . H
    C28 -0.0362(3) 0.6461(3) 0.3802(2) 0.0162(9) Uani d . 1 . . C
    C29 -0.0462(3) 0.6898(3) 0.3233(2) 0.0205(10) Uani d . 1 . . C
    H29 0.0174 0.7415 0.3212 0.025 Uiso calc R 1 . . H
    C30 -0.1498(3) 0.6573(3) 0.2697(2) 0.0266(10) Uani d . 1 . . C
    H30 -0.1582 0.6871 0.2308 0.032 Uiso calc R 1 . . H
    C31 -0.2410(3) 0.5813(3) 0.2729(2) 0.0279(11) Uani d . 1 . . C
    H31 -0.3112 0.5581 0.2356 0.033 Uiso calc R 1 . . H
    C32 -0.2308(3) 0.5389(3) 0.3297(2) 0.0246(10) Uani d . 1 . . C
    H32 -0.2944 0.4871 0.3314 0.030 Uiso calc R 1 . . H
    C33 -0.1292(3) 0.5712(3) 0.3841(2) 0.0227(10) Uani d . 1 . . C
    H33 -0.1229 0.5425 0.4236 0.027 Uiso calc R 1 . . H
    As2 0.22529(3) -0.01399(3) 0.87463(2) 0.01908(11) Uani d . 1 . . As
    C34 0.3772(3) 0.0369(3) 0.8490(2) 0.0206(10) Uani d . 1 . . C
    C35 0.4079(3) -0.0055(3) 0.7892(2) 0.0232(10) Uani d . 1 . . C
    H35 0.3535 -0.0601 0.7599 0.028 Uiso calc R 1 . . H
    C36 0.5205(3) 0.0337(3) 0.7730(2) 0.0266(11) Uani d . 1 . . C
    H36 0.5432 0.0056 0.7322 0.032 Uiso calc R 1 . . H
    C37 0.5987(4) 0.1132(3) 0.8160(2) 0.0293(11) Uani d . 1 . . C
    H37 0.6753 0.1391 0.8047 0.035 Uiso calc R 1 . . H
    C38 0.5674(3) 0.1552(3) 0.8750(2) 0.0298(11) Uani d . 1 . . C
    H38 0.6215 0.2102 0.9041 0.036 Uiso calc R 1 . . H
    C39 0.4555(3) 0.1166(3) 0.8918(2) 0.0248(10) Uani d . 1 . . C
    H39 0.4332 0.1449 0.9326 0.030 Uiso calc R 1 . . H
    C40 0.2337(3) 0.0481(3) 0.9670(2) 0.0191(9) Uani d . 1 . . C
    C41 0.1825(3) 0.1263(3) 0.9782(2) 0.0258(10) Uani d . 1 . . C
    H41 0.1364 0.1451 0.9402 0.031 Uiso calc R 1 . . H
    C42 0.1997(4) 0.1764(3) 1.0452(2) 0.0332(11) Uani d . 1 . . C
    H42 0.1635 0.2290 1.0535 0.040 Uiso calc R 1 . . H
    C43 0.2689(4) 0.1504(3) 1.1000(2) 0.0316(11) Uani d . 1 . . C
    H43 0.2822 0.1859 1.1458 0.038 Uiso calc R 1 . . H
    C44 0.3193(4) 0.0720(3) 1.0878(3) 0.0341(12) Uani d . 1 . . C
    H44 0.3669 0.0539 1.1256 0.041 Uiso calc R 1 . . H
    C45 0.3010(3) 0.0211(3) 1.0224(2) 0.0260(10) Uani d . 1 . . C
    H45 0.3344 -0.0331 1.0146 0.031 Uiso calc R 1 . . H
    C46 0.2145(3) -0.1450(3) 0.8706(2) 0.0185(9) Uani d . 1 . . C
    C47 0.1008(4) -0.2095(3) 0.8511(2) 0.0259(10) Uani d . 1 . . C
    H47 0.0264 -0.1890 0.8384 0.031 Uiso calc R 1 . . H
    C48 0.0965(4) -0.3036(3) 0.8503(2) 0.0339(11) Uani d . 1 . . C
    H48 0.0189 -0.3480 0.8361 0.041 Uiso calc R 1 . . H
    C49 0.2026(4) -0.3335(3) 0.8697(2) 0.0351(12) Uani d . 1 . . C
    H49 0.1983 -0.3985 0.8690 0.042 Uiso calc R 1 . . H
    C50 0.3170(4) -0.2694(3) 0.8905(2) 0.0363(12) Uani d . 1 . . C
    H50 0.3906 -0.2906 0.9039 0.044 Uiso calc R 1 . . H
    C51 0.3234(4) -0.1752(3) 0.8916(2) 0.0291(11) Uani d . 1 . . C
    H51 0.4010 -0.1310 0.9065 0.035 Uiso calc R 1 . . H
    C52 0.0856(3) 0.0065(3) 0.8148(2) 0.0194(9) Uani d . 1 . . C
    C53 0.0986(3) 0.0386(3) 0.7547(2) 0.0227(10) Uani d . 1 . . C
    H53 0.1779 0.0509 0.7430 0.027 Uiso calc R 1 . . H
    C54 -0.0039(4) 0.0532(3) 0.7110(2) 0.0304(11) Uani d . 1 . . C
    H54 0.0049 0.0753 0.6695 0.037 Uiso calc R 1 . . H
    C55 -0.1190(4) 0.0349(3) 0.7289(2) 0.0341(12) Uani d . 1 . . C
    H55 -0.1895 0.0445 0.6993 0.041 Uiso calc R 1 . . H
    C56 -0.1322(4) 0.0031(3) 0.7889(2) 0.0349(12) Uani d . 1 . . C
    H56 -0.2116 -0.0094 0.8005 0.042 Uiso calc R 1 . . H
    C57 -0.0297(3) -0.0110(3) 0.8329(2) 0.0274(11) Uani d . 1 . . C
    H57 -0.0384 -0.0324 0.8747 0.033 Uiso calc R 1 . . H
    O1 0.7306(3) 0.7250(3) 0.11497(19) 0.0523(10) Uani d . 1 . . O
    C58 0.6757(5) 0.6490(4) 0.0771(3) 0.0495(14) Uani d . 1 . . C
    C59 0.5588(4) 0.6405(3) 0.0192(2) 0.0462(13) Uani d . 1 . . C
    H59A 0.4876 0.5977 0.0282 0.069 Uiso calc R 1 . . H
    H59B 0.5749 0.6158 -0.0261 0.069 Uiso calc R 1 . . H
    H59C 0.5405 0.7027 0.0192 0.069 Uiso calc R 1 . . H
    C60 0.7210(4) 0.5618(3) 0.0854(3) 0.0519(14) Uani d . 1 . . C
    H60A 0.8022 0.5789 0.1174 0.078 Uiso calc R 1 . . H
    H60B 0.7288 0.5294 0.0401 0.078 Uiso calc R 1 . . H
    H60C 0.6617 0.5202 0.1041 0.078 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
 Least-squares planes (x,y,z in crystal coordinates) and deviations from them
 (* indicates atom used to define plane)
  1.0346 (0.0052) x + 9.6427 (0.0044) y + 10.9656 (0.0074) z = 6.2634 (0.0015)
 *   -0.0095 (0.0013)  S1
 *    0.0198 (0.0013)  S2
 *   -0.0057 (0.0032)  C1
 *   -0.0139 (0.0033)  C2
 *    0.0199 (0.0012)  S3
 *   -0.0107 (0.0012)  S4
     -0.0252 (0.0043)  C3
     -0.0533 (0.0023)  S5
      1.1470 (0.0016)  Sn1
 Rms deviation of fitted atoms =   0.0143
  9.5094 (0.0026) x + 3.5555 (0.0052) y + 1.9069 (0.0087) z = 3.5553 (0.0030)
 Angle to previous plane (with approximate esd) = 52.96 ( 0.04 )
 *    0.0514 (0.0011)  S6
 *    0.0391 (0.0011)  S7
 *   -0.0821 (0.0030)  C4
 *   -0.0901 (0.0029)  C5
 *    0.0314 (0.0011)  S8
 *    0.0503 (0.0011)  S9
      0.1219 (0.0039)  C6
      0.3287 (0.0020)  S10
      1.5966 (0.0013)  Sn1
 Rms deviation of fitted atoms =   0.0613
 - 9.7786 (0.0018) x + 9.2006 (0.0041) y + 4.3916 (0.0077) z = 2.3615 (0.0036)
 Angle to previous plane (with approximate esd) = 60.52 ( 0.02 )
 *   -0.0093 (0.0011)  S11
 *    0.0082 (0.0011)  S12
 *   -0.0019 (0.0028)  C7
 *    0.0040 (0.0027)  C8
 *    0.0116 (0.0010)  S13
 *   -0.0126 (0.0010)  S14
      0.0237 (0.0036)  C9
      0.0557 (0.0019)  S15
     -0.0362 (0.0014)  Sn1
 Rms deviation of fitted atoms =   0.0088
;
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
    Sn1 S12 . 2.5310(10) y
    Sn1 S11 . 2.5320(11) y
    Sn1 S1 . 2.5503(10) y
    Sn1 S7 . 2.5517(10) y
    Sn1 S2 . 2.5553(10) y
    Sn1 S6 . 2.5585(12) y
    S1 C1 . 1.734(4) ?
    S2 C2 . 1.732(4) ?
    C1 C2 . 1.369(5) ?
    C1 S3 . 1.746(4) ?
    C2 S4 . 1.750(4) ?
    S3 C3 . 1.739(4) ?
    S4 C3 . 1.722(4) ?
    C3 S5 . 1.651(4) ?
    S6 C4 . 1.752(4) ?
    S7 C5 . 1.729(4) ?
    C4 C5 . 1.349(5) ?
    C4 S8 . 1.749(4) ?
    C5 S9 . 1.759(4) ?
    S8 C6 . 1.715(4) ?
    S9 C6 . 1.760(4) ?
    C6 S10 . 1.642(4) ?
    S11 C7 . 1.749(4) ?
    S12 C8 . 1.737(4) ?
    C7 C8 . 1.363(5) ?
    C7 S13 . 1.740(4) ?
    C8 S14 . 1.748(4) ?
    S13 C9 . 1.726(4) ?
    S14 C9 . 1.718(4) ?
    C9 S15 . 1.662(4) ?
    As1 C28 . 1.901(4) ?
    As1 C10 . 1.908(3) ?
    As1 C22 . 1.910(4) ?
    As1 C16 . 1.912(3) ?
    C10 C11 . 1.383(5) ?
    C10 C15 . 1.393(5) ?
    C11 C12 . 1.394(5) ?
    C11 H11 . 0.9500 ?
    C12 C13 . 1.382(5) ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.383(5) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.374(5) ?
    C14 H14 . 0.9500 ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.387(5) ?
    C16 C21 . 1.389(5) ?
    C17 C18 . 1.390(5) ?
    C17 H17 . 0.9500 ?
    C18 C19 . 1.381(5) ?
    C18 H18 . 0.9500 ?
    C19 C20 . 1.367(5) ?
    C19 H19 . 0.9500 ?
    C20 C21 . 1.376(5) ?
    C20 H20 . 0.9500 ?
    C21 H21 . 0.9500 ?
    C22 C27 . 1.384(5) ?
    C22 C23 . 1.390(5) ?
    C23 C24 . 1.386(5) ?
    C23 H23 . 0.9500 ?
    C24 C25 . 1.380(6) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.379(5) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.388(5) ?
    C26 H26 . 0.9500 ?
    C27 H27 . 0.9500 ?
    C28 C33 . 1.388(5) ?
    C28 C29 . 1.392(5) ?
    C29 C30 . 1.384(5) ?
    C29 H29 . 0.9500 ?
    C30 C31 . 1.383(5) ?
    C30 H30 . 0.9500 ?
    C31 C32 . 1.376(5) ?
    C31 H31 . 0.9500 ?
    C32 C33 . 1.379(5) ?
    C32 H32 . 0.9500 ?
    C33 H33 . 0.9500 ?
    As2 C40 . 1.901(4) ?
    As2 C52 . 1.903(4) ?
    As2 C46 . 1.905(4) ?
    As2 C34 . 1.913(3) ?
    C34 C39 . 1.382(5) ?
    C34 C35 . 1.386(5) ?
    C35 C36 . 1.397(5) ?
    C35 H35 . 0.9500 ?
    C36 C37 . 1.382(6) ?
    C36 H36 . 0.9500 ?
    C37 C38 . 1.376(6) ?
    C37 H37 . 0.9500 ?
    C38 C39 . 1.393(5) ?
    C38 H38 . 0.9500 ?
    C39 H39 . 0.9500 ?
    C40 C45 . 1.384(5) ?
    C40 C41 . 1.392(5) ?
    C41 C42 . 1.383(6) ?
    C41 H41 . 0.9500 ?
    C42 C43 . 1.378(6) ?
    C42 H42 . 0.9500 ?
    C43 C44 . 1.391(5) ?
    C43 H43 . 0.9500 ?
    C44 C45 . 1.360(6) ?
    C44 H44 . 0.9500 ?
    C45 H45 . 0.9500 ?
    C46 C47 . 1.388(5) ?
    C46 C51 . 1.400(5) ?
    C47 C48 . 1.379(5) ?
    C47 H47 . 0.9500 ?
    C48 C49 . 1.365(5) ?
    C48 H48 . 0.9500 ?
    C49 C50 . 1.392(6) ?
    C49 H49 . 0.9500 ?
    C50 C51 . 1.377(5) ?
    C50 H50 . 0.9500 ?
    C51 H51 . 0.9500 ?
    C52 C53 . 1.376(5) ?
    C52 C57 . 1.390(5) ?
    C53 C54 . 1.392(5) ?
    C53 H53 . 0.9500 ?
    C54 C55 . 1.387(5) ?
    C54 H54 . 0.9500 ?
    C55 C56 . 1.374(6) ?
    C55 H55 . 0.9500 ?
    C56 C57 . 1.391(5) ?
    C56 H56 . 0.9500 ?
    C57 H57 . 0.9500 ?
    O1 C58 . 1.230(6) ?
    C58 C60 . 1.496(6) ?
    C58 C59 . 1.561(7) ?
    C59 H59A . 0.9800 ?
    C59 H59B . 0.9800 ?
    C59 H59C . 0.9800 ?
    C60 H60A . 0.9800 ?
    C60 H60B . 0.9800 ?
    C60 H60C . 0.9800 ?
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
    S12 Sn1 S11 . . 87.42(3) y
    S12 Sn1 S1 . . 173.46(3) y
    S11 Sn1 S1 . . 89.51(3) y
    S12 Sn1 S7 . . 96.99(3) y
    S11 Sn1 S7 . . 93.20(4) y
    S1 Sn1 S7 . . 88.95(3) y
    S12 Sn1 S2 . . 91.63(3) y
    S11 Sn1 S2 . . 96.46(3) y
    S1 Sn1 S2 . . 82.97(3) y
    S7 Sn1 S2 . . 167.34(4) y
    S12 Sn1 S6 . . 86.64(3) y
    S11 Sn1 S6 . . 171.55(3) y
    S1 Sn1 S6 . . 97.00(4) y
    S7 Sn1 S6 . . 81.59(3) y
    S2 Sn1 S6 . . 89.70(3) y
    C1 S1 Sn1 . . 96.10(12) ?
    C2 S2 Sn1 . . 96.31(13) ?
    C2 C1 S1 . . 125.5(3) ?
    C2 C1 S3 . . 115.5(3) ?
    S1 C1 S3 . . 119.1(2) ?
    C1 C2 S2 . . 125.5(3) ?
    C1 C2 S4 . . 115.4(3) ?
    S2 C2 S4 . . 119.1(2) ?
    C3 S3 C1 . . 98.40(18) ?
    C3 S4 C2 . . 98.65(18) ?
    S5 C3 S4 . . 124.1(2) ?
    S5 C3 S3 . . 123.8(2) ?
    S4 C3 S3 . . 112.1(2) ?
    C4 S6 Sn1 . . 92.15(14) ?
    C5 S7 Sn1 . . 92.63(12) ?
    C5 C4 S8 . . 116.7(3) ?
    C5 C4 S6 . . 124.5(3) ?
    S8 C4 S6 . . 118.2(2) ?
    C4 C5 S7 . . 125.3(3) ?
    C4 C5 S9 . . 115.0(3) ?
    S7 C5 S9 . . 118.9(2) ?
    C6 S8 C4 . . 98.5(2) ?
    C5 S9 C6 . . 97.98(19) ?
    S10 C6 S8 . . 125.6(3) ?
    S10 C6 S9 . . 122.6(2) ?
    S8 C6 S9 . . 111.8(2) ?
    C7 S11 Sn1 . . 98.47(14) ?
    C8 S12 Sn1 . . 98.54(13) ?
    C8 C7 S13 . . 115.8(3) ?
    C8 C7 S11 . . 127.4(3) ?
    S13 C7 S11 . . 116.8(2) ?
    C7 C8 S12 . . 128.1(3) ?
    C7 C8 S14 . . 115.0(3) ?
    S12 C8 S14 . . 116.9(2) ?
    C9 S13 C7 . . 98.37(19) ?
    C9 S14 C8 . . 98.65(19) ?
    S15 C9 S14 . . 124.1(2) ?
    S15 C9 S13 . . 123.7(3) ?
    S14 C9 S13 . . 112.2(2) ?
    C28 As1 C10 . . 110.72(16) ?
    C28 As1 C22 . . 108.08(15) ?
    C10 As1 C22 . . 110.95(16) ?
    C28 As1 C16 . . 109.94(16) ?
    C10 As1 C16 . . 108.01(14) ?
    C22 As1 C16 . . 109.13(16) ?
    C11 C10 C15 . . 120.6(3) ?
    C11 C10 As1 . . 121.3(3) ?
    C15 C10 As1 . . 118.2(3) ?
    C10 C11 C12 . . 118.9(4) ?
    C10 C11 H11 . . 120.5 ?
    C12 C11 H11 . . 120.5 ?
    C13 C12 C11 . . 120.5(4) ?
    C13 C12 H12 . . 119.8 ?
    C11 C12 H12 . . 119.8 ?
    C12 C13 C14 . . 120.0(4) ?
    C12 C13 H13 . . 120.0 ?
    C14 C13 H13 . . 120.0 ?
    C15 C14 C13 . . 120.2(4) ?
    C15 C14 H14 . . 119.9 ?
    C13 C14 H14 . . 119.9 ?
    C14 C15 C10 . . 119.8(4) ?
    C14 C15 H15 . . 120.1 ?
    C10 C15 H15 . . 120.1 ?
    C17 C16 C21 . . 121.5(3) ?
    C17 C16 As1 . . 120.6(3) ?
    C21 C16 As1 . . 117.9(3) ?
    C16 C17 C18 . . 118.6(4) ?
    C16 C17 H17 . . 120.7 ?
    C18 C17 H17 . . 120.7 ?
    C19 C18 C17 . . 119.9(4) ?
    C19 C18 H18 . . 120.1 ?
    C17 C18 H18 . . 120.1 ?
    C20 C19 C18 . . 120.5(4) ?
    C20 C19 H19 . . 119.7 ?
    C18 C19 H19 . . 119.7 ?
    C19 C20 C21 . . 121.0(4) ?
    C19 C20 H20 . . 119.5 ?
    C21 C20 H20 . . 119.5 ?
    C20 C21 C16 . . 118.4(4) ?
    C20 C21 H21 . . 120.8 ?
    C16 C21 H21 . . 120.8 ?
    C27 C22 C23 . . 120.5(4) ?
    C27 C22 As1 . . 122.1(3) ?
    C23 C22 As1 . . 117.3(3) ?
    C24 C23 C22 . . 119.5(4) ?
    C24 C23 H23 . . 120.3 ?
    C22 C23 H23 . . 120.3 ?
    C25 C24 C23 . . 119.7(4) ?
    C25 C24 H24 . . 120.2 ?
    C23 C24 H24 . . 120.2 ?
    C26 C25 C24 . . 121.1(4) ?
    C26 C25 H25 . . 119.5 ?
    C24 C25 H25 . . 119.5 ?
    C25 C26 C27 . . 119.4(4) ?
    C25 C26 H26 . . 120.3 ?
    C27 C26 H26 . . 120.3 ?
    C22 C27 C26 . . 119.8(4) ?
    C22 C27 H27 . . 120.1 ?
    C26 C27 H27 . . 120.1 ?
    C33 C28 C29 . . 120.8(4) ?
    C33 C28 As1 . . 119.4(3) ?
    C29 C28 As1 . . 119.8(3) ?
    C30 C29 C28 . . 119.3(4) ?
    C30 C29 H29 . . 120.4 ?
    C28 C29 H29 . . 120.4 ?
    C31 C30 C29 . . 119.9(4) ?
    C31 C30 H30 . . 120.1 ?
    C29 C30 H30 . . 120.1 ?
    C32 C31 C30 . . 120.5(4) ?
    C32 C31 H31 . . 119.8 ?
    C30 C31 H31 . . 119.8 ?
    C31 C32 C33 . . 120.6(4) ?
    C31 C32 H32 . . 119.7 ?
    C33 C32 H32 . . 119.7 ?
    C32 C33 C28 . . 119.0(4) ?
    C32 C33 H33 . . 120.5 ?
    C28 C33 H33 . . 120.5 ?
    C40 As2 C52 . . 109.20(16) ?
    C40 As2 C46 . . 110.43(16) ?
    C52 As2 C46 . . 110.84(16) ?
    C40 As2 C34 . . 107.38(17) ?
    C52 As2 C34 . . 111.38(16) ?
    C46 As2 C34 . . 107.55(15) ?
    C39 C34 C35 . . 121.0(4) ?
    C39 C34 As2 . . 118.2(3) ?
    C35 C34 As2 . . 120.7(3) ?
    C34 C35 C36 . . 118.7(4) ?
    C34 C35 H35 . . 120.6 ?
    C36 C35 H35 . . 120.6 ?
    C37 C36 C35 . . 120.1(4) ?
    C37 C36 H36 . . 119.9 ?
    C35 C36 H36 . . 119.9 ?
    C38 C37 C36 . . 120.9(4) ?
    C38 C37 H37 . . 119.5 ?
    C36 C37 H37 . . 119.5 ?
    C37 C38 C39 . . 119.4(4) ?
    C37 C38 H38 . . 120.3 ?
    C39 C38 H38 . . 120.3 ?
    C34 C39 C38 . . 119.8(4) ?
    C34 C39 H39 . . 120.1 ?
    C38 C39 H39 . . 120.1 ?
    C45 C40 C41 . . 120.3(4) ?
    C45 C40 As2 . . 119.8(3) ?
    C41 C40 As2 . . 119.6(3) ?
    C42 C41 C40 . . 119.1(4) ?
    C42 C41 H41 . . 120.4 ?
    C40 C41 H41 . . 120.4 ?
    C43 C42 C41 . . 120.4(4) ?
    C43 C42 H42 . . 119.8 ?
    C41 C42 H42 . . 119.8 ?
    C42 C43 C44 . . 119.6(4) ?
    C42 C43 H43 . . 120.2 ?
    C44 C43 H43 . . 120.2 ?
    C45 C44 C43 . . 120.5(4) ?
    C45 C44 H44 . . 119.7 ?
    C43 C44 H44 . . 119.7 ?
    C44 C45 C40 . . 120.0(4) ?
    C44 C45 H45 . . 120.0 ?
    C40 C45 H45 . . 120.0 ?
    C47 C46 C51 . . 120.0(4) ?
    C47 C46 As2 . . 121.3(3) ?
    C51 C46 As2 . . 118.6(3) ?
    C48 C47 C46 . . 119.6(4) ?
    C48 C47 H47 . . 120.2 ?
    C46 C47 H47 . . 120.2 ?
    C49 C48 C47 . . 120.6(4) ?
    C49 C48 H48 . . 119.7 ?
    C47 C48 H48 . . 119.7 ?
    C48 C49 C50 . . 120.4(4) ?
    C48 C49 H49 . . 119.8 ?
    C50 C49 H49 . . 119.8 ?
    C51 C50 C49 . . 119.9(4) ?
    C51 C50 H50 . . 120.0 ?
    C49 C50 H50 . . 120.0 ?
    C50 C51 C46 . . 119.5(4) ?
    C50 C51 H51 . . 120.3 ?
    C46 C51 H51 . . 120.3 ?
    C53 C52 C57 . . 120.4(3) ?
    C53 C52 As2 . . 120.6(3) ?
    C57 C52 As2 . . 119.0(3) ?
    C52 C53 C54 . . 120.4(3) ?
    C52 C53 H53 . . 119.8 ?
    C54 C53 H53 . . 119.8 ?
    C55 C54 C53 . . 119.0(4) ?
    C55 C54 H54 . . 120.5 ?
    C53 C54 H54 . . 120.5 ?
    C56 C55 C54 . . 120.7(4) ?
    C56 C55 H55 . . 119.6 ?
    C54 C55 H55 . . 119.6 ?
    C55 C56 C57 . . 120.3(4) ?
    C55 C56 H56 . . 119.9 ?
    C57 C56 H56 . . 119.9 ?
    C52 C57 C56 . . 119.2(4) ?
    C52 C57 H57 . . 120.4 ?
    C56 C57 H57 . . 120.4 ?
    O1 C58 C60 . . 120.2(5) ?
    O1 C58 C59 . . 121.6(4) ?
    C60 C58 C59 . . 118.2(5) ?
    C58 C59 H59A . . 109.5 ?
    C58 C59 H59B . . 109.5 ?
    H59A C59 H59B . . 109.5 ?
    C58 C59 H59C . . 109.5 ?
    H59A C59 H59C . . 109.5 ?
    H59B C59 H59C . . 109.5 ?
    C58 C60 H60A . . 109.5 ?
    C58 C60 H60B . . 109.5 ?
    H60A C60 H60B . . 109.5 ?
    C58 C60 H60C . . 109.5 ?
    H60A C60 H60C . . 109.5 ?
    H60B C60 H60C . . 109.5 ?
