data_2012780
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m351
_journal_page_last  m354
_publ_section_title
;
6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene-2-thione and
6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene]-2,2'-dithione
;
loop_
_publ_author_name
  'Harrison, William T. A.'
  'Howie, R. Alan'
  'Skakle, Janet M. S.'
  'Wardell, James L.'
_chemical_formula_moiety  'C10 H8 S10 Sn'
_chemical_formula_sum  'C10 H8 S10 Sn'
_chemical_formula_iupac  '[Sn (C10 H8 S10)]'
_chemical_formula_weight  567.45
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_HALL  'P 2yn'
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'
_cell_length_a  11.3973(4)
_cell_length_b  14.2749(5)
_cell_length_c  12.5609(5)
_cell_angle_alpha  90
_cell_angle_beta  114.6250(10)
_cell_angle_gamma  90
_cell_volume  1857.74(12)
_cell_formula_units_Z  4
_cell_measurement_temperature  297(2)
_exptl_crystal_density_diffrn  2.029
_diffrn_ambient_temperature  297(2)
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 0.013577(19) 0.240768(14) 0.707097(18) 0.03320(7) Uani d . 1 . . Sn
  S1 -0.27731(7) 0.31717(6) 0.67784(7) 0.04065(18) Uani d . 1 . . S
  S2 -0.07947(8) 0.45489(6) 0.59749(7) 0.03866(17) Uani d . 1 . . S
  S3 -0.23058(8) 0.46297(6) 0.86210(8) 0.04340(19) Uani d . 1 . . S
  S4 -0.05854(8) 0.57353(5) 0.80067(7) 0.03910(17) Uani d . 1 . . S
  S5 -0.10852(10) 0.63033(7) 1.00619(8) 0.0552(3) Uani d . 1 . . S
  S6 0.09415(10) 0.10155(7) 0.53597(10) 0.0576(3) Uani d . 1 . . S
  S7 0.31270(10) 0.14326(9) 0.81993(9) 0.0620(3) Uani d . 1 . . S
  S8 0.21824(9) 0.26740(7) 0.47814(8) 0.0461(2) Uani d . 1 . . S
  S9 0.39717(8) 0.30331(8) 0.71610(8) 0.0499(2) Uani d . 1 . . S
  S10 0.40256(12) 0.42571(9) 0.52606(12) 0.0708(3) Uani d . 1 . . S
  C1 -0.1435(3) 0.2390(2) 0.7596(3) 0.0361(6) Uani d . 1 . . C
  H1A -0.1766 0.1755 0.7516 0.043 Uiso calc R 1 . . H
  H1B -0.1101 0.2555 0.8419 0.043 Uiso calc R 1 . . H
  C2 0.0605(3) 0.3806(2) 0.6695(3) 0.0406(7) Uani d . 1 . . C
  H2A 0.1177 0.4100 0.7423 0.049 Uiso calc R 1 . . H
  H2B 0.1068 0.3757 0.6200 0.049 Uiso calc R 1 . . H
  C3 -0.2033(3) 0.4227(2) 0.7432(3) 0.0344(6) Uani d . 1 . . C
  C4 -0.1237(3) 0.4752(2) 0.7140(2) 0.0315(5) Uani d . 1 . . C
  C5 -0.1304(3) 0.5588(2) 0.8963(3) 0.0358(6) Uani d . 1 . . C
  C6 -0.0393(4) 0.1559(3) 0.5519(3) 0.0564(10) Uani d . 1 . . C
  H6A -0.0983 0.1075 0.5532 0.068 Uiso calc R 1 . . H
  H6B -0.0850 0.1949 0.4838 0.068 Uiso calc R 1 . . H
  C7 0.1706(4) 0.1682(3) 0.8413(4) 0.0596(11) Uani d . 1 . . C
  H7A 0.1965 0.2046 0.9127 0.072 Uiso calc R 1 . . H
  H7B 0.1374 0.1091 0.8551 0.072 Uiso calc R 1 . . H
  C8 0.2107(3) 0.1910(2) 0.5839(3) 0.0400(7) Uani d . 1 . . C
  C9 0.2940(3) 0.2081(3) 0.6952(3) 0.0421(7) Uani d . 1 . . C
  C10 0.3428(3) 0.3370(3) 0.5707(3) 0.0450(7) Uani d . 1 . . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Sn1 0.03190(11) 0.03361(12) 0.03809(12) 0.00304(7) 0.01855(8) -0.00084(8)
  S1 0.0299(3) 0.0400(4) 0.0529(4) -0.0073(3) 0.0181(3) -0.0106(3)
  S2 0.0458(4) 0.0389(4) 0.0377(4) 0.0054(3) 0.0238(3) 0.0039(3)
  S3 0.0494(4) 0.0418(4) 0.0528(5) 0.0009(3) 0.0350(4) -0.0049(3)
  S4 0.0416(4) 0.0295(4) 0.0484(4) -0.0024(3) 0.0210(3) -0.0040(3)
  S5 0.0644(6) 0.0510(5) 0.0393(4) 0.0180(4) 0.0110(4) -0.0110(4)
  S6 0.0639(6) 0.0452(5) 0.0853(7) -0.0149(4) 0.0524(6) -0.0262(5)
  S7 0.0496(5) 0.0808(8) 0.0632(6) 0.0296(5) 0.0310(5) 0.0358(5)
  S8 0.0481(5) 0.0556(5) 0.0404(4) -0.0050(4) 0.0242(4) 0.0002(4)
  S9 0.0361(4) 0.0607(6) 0.0497(5) -0.0038(4) 0.0147(4) -0.0001(4)
  S10 0.0627(6) 0.0558(6) 0.0968(8) -0.0083(5) 0.0362(6) 0.0207(6)
  C1 0.0332(14) 0.0351(15) 0.0438(16) -0.0064(11) 0.0200(12) -0.0050(12)
  C2 0.0374(16) 0.0373(16) 0.0555(18) 0.0036(12) 0.0274(14) 0.0007(14)
  C3 0.0320(14) 0.0322(15) 0.0414(15) 0.0018(11) 0.0177(12) -0.0044(11)
  C4 0.0313(13) 0.0301(14) 0.0355(13) 0.0029(11) 0.0163(11) -0.0014(11)
  C5 0.0368(15) 0.0311(14) 0.0357(14) 0.0102(12) 0.0115(12) -0.0010(11)
  C6 0.0428(19) 0.069(3) 0.063(2) -0.0108(17) 0.0275(17) -0.0276(19)
  C7 0.054(2) 0.079(3) 0.058(2) 0.025(2) 0.0359(18) 0.027(2)
  C8 0.0438(17) 0.0365(16) 0.0511(17) 0.0008(13) 0.0312(15) -0.0015(13)
  C9 0.0348(15) 0.0459(18) 0.0509(18) 0.0089(13) 0.0233(14) 0.0096(14)
  C10 0.0365(16) 0.0436(19) 0.0588(19) 0.0022(13) 0.0236(15) 0.0050(15)
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 C7 . 2.146(4) yes
  Sn1 C1 . 2.151(3) yes
  Sn1 C6 . 2.157(3) yes
  Sn1 C2 . 2.168(3) yes
  Sn1 S5 3_567 3.7788(9) yes
  S1 C3 . 1.754(3) ?
  S1 C1 . 1.822(3) ?
  S1 S5 4_557 3.4122(13) ?
  S2 C4 . 1.759(3) ?
  S2 C2 . 1.813(3) ?
  S2 S7 2_454 3.4724(12) ?
  S3 C5 . 1.717(3) ?
  S3 C3 . 1.744(3) ?
  S4 C5 . 1.726(3) ?
  S4 C4 . 1.741(3) ?
  S5 C5 . 1.650(3) ?
  S5 S1 4_567 3.4122(13) ?
  S5 Sn1 3_567 3.7788(9) ?
  S6 C8 . 1.758(3) ?
  S6 C6 . 1.791(4) ?
  S7 C9 . 1.755(3) ?
  S7 C7 . 1.784(4) ?
  S7 S2 2 3.4724(12) ?
  S8 C10 . 1.726(4) ?
  S8 C8 . 1.749(3) ?
  S9 C10 . 1.735(4) ?
  S9 C9 . 1.744(4) ?
  S10 C10 . 1.643(4) ?
  S10 S10 3_666 3.328(2) ?
  C1 H1A . 0.9700 ?
  C1 H1B . 0.9700 ?
  C2 H2A . 0.9700 ?
  C2 H2B . 0.9700 ?
  C3 C4 . 1.342(4) ?
  C6 H6A . 0.9700 ?
  C6 H6B . 0.9700 ?
  C7 H7A . 0.9700 ?
  C7 H7B . 0.9700 ?
  C8 C9 . 1.345(5) ?