data_2013999
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  i47
_journal_page_last  i49
_publ_section_title
;
Hydrates of tin tetrachloride
;
loop_
_publ_author_name
  'Genge, Anthony R. J.'
  'Levason, William'
  'Patel, Rina'
  'Reid, Gillian'
  'Webster, Michael'
_chemical_formula_moiety  'Cl4 H4 O2 Sn, 2H2 O'
_chemical_formula_sum  'Cl4 H8 O4 Sn'
_chemical_formula_iupac  '[Sn Cl4 (H2 O1)2], 2H2 O'
_chemical_formula_weight  332.55
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C c'
_symmetry_space_group_name_Hall  'C -2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z+1/2'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, z+1/2'
_cell_length_a  23.987(4)
_cell_length_b  6.714(6)
_cell_length_c  11.580(3)
_cell_angle_alpha  90.00
_cell_angle_beta  93.77(2)
_cell_angle_gamma  90.00
_cell_volume  1860.9(18)
_cell_formula_units_Z  8
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  2.374
_diffrn_ambient_temperature  150(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 0.242986(18) 0.12803(7) 0.17477(3) 0.01388(15) Uani d D 1 . . Sn
  Sn2 -0.009876(17) 0.33648(7) -0.08266(3) 0.01389(15) Uani d . 1 . . Sn
  Cl1 0.27173(8) -0.1780(3) 0.09203(15) 0.0199(4) Uani d . 1 . . Cl
  Cl2 0.20962(8) 0.3850(3) 0.29478(16) 0.0215(4) Uani d . 1 . . Cl
  Cl3 0.32761(7) 0.2997(3) 0.13795(16) 0.0224(4) Uani d . 1 . . Cl
  Cl4 0.19213(7) 0.2397(3) 0.00579(15) 0.0228(4) Uani d . 1 . . Cl
  Cl5 -0.09836(7) 0.2192(3) -0.03083(15) 0.0234(4) Uani d . 1 . . Cl
  Cl6 0.07409(7) 0.4236(3) -0.17073(17) 0.0223(4) Uani d . 1 . . Cl
  Cl7 0.03933(8) 0.1873(3) 0.07930(16) 0.0257(4) Uani d . 1 . . Cl
  Cl8 -0.01963(9) 0.6577(3) 0.00414(17) 0.0235(4) Uani d . 1 . . Cl
  O1 0.2850(2) 0.0240(8) 0.3316(4) 0.0189(11) Uani d D 1 . . O
  O2 0.1741(2) -0.0426(8) 0.2246(4) 0.0205(11) Uani d D 1 . . O
  O3 -0.0049(2) 0.0798(7) -0.1859(4) 0.0182(11) Uani d D 1 . . O
  O4 -0.0534(2) 0.4506(8) -0.2354(5) 0.0240(12) Uani d D 1 . . O
  O5 0.3170(2) 0.6573(8) 0.3650(5) 0.0224(12) Uani d . 1 . . O
  O6 0.4130(3) 0.6733(8) 0.2488(5) 0.0230(12) Uani d . 1 . . O
  O7 0.1290(2) 0.3042(9) 0.5742(5) 0.0296(13) Uani d . 1 . . O
  O8 0.0935(2) 0.8945(9) -0.1473(5) 0.0267(13) Uani d . 1 . . O
  H1 0.2773 0.0388 0.4005 0.037 Uiso d D 1 . . H
  H2 0.2892 -0.1003 0.3392 0.037 Uiso d D 1 . . H
  H3 0.1456 0.0174 0.2477 0.037 Uiso d D 1 . . H
  H4 0.1609 -0.1099 0.1678 0.037 Uiso d D 1 . . H
  H5 0.0229 0.0112 -0.1618 0.037 Uiso d D 1 . . H
  H6 -0.0320 0.0012 -0.1844 0.037 Uiso d D 1 . . H
  H7 -0.0637 0.5686 -0.2296 0.037 Uiso d D 1 . . H
  H8 -0.0561 0.4042 -0.3023 0.037 Uiso d D 1 . . H
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 0.0125(2) 0.0175(2) 0.0120(2) 0.00048(19) 0.00384(17) 0.0000(2)
  Sn2 0.0124(3) 0.0178(2) 0.0119(2) -0.00094(18) 0.00420(17) 0.00003(19)
  Cl1 0.0233(10) 0.0211(8) 0.0160(8) 0.0045(7) 0.0059(7) -0.0018(7)
  Cl2 0.0200(9) 0.0208(9) 0.0246(10) 0.0015(6) 0.0068(7) -0.0053(7)
  Cl3 0.0161(8) 0.0294(10) 0.0223(9) -0.0055(7) 0.0059(7) 0.0014(8)
  Cl4 0.0209(8) 0.0307(10) 0.0166(8) 0.0034(8) 0.0004(6) 0.0047(8)
  Cl5 0.0154(8) 0.0352(11) 0.0202(9) -0.0042(8) 0.0060(6) -0.0011(8)
  Cl6 0.0167(8) 0.0283(10) 0.0228(9) -0.0047(7) 0.0082(7) 0.0002(8)
  Cl7 0.0237(9) 0.0355(11) 0.0175(9) 0.0029(8) -0.0014(7) 0.0075(8)
  Cl8 0.0330(11) 0.0183(8) 0.0199(9) -0.0003(7) 0.0063(8) -0.0027(7)
  O1 0.027(3) 0.021(3) 0.009(3) 0.003(2) 0.0024(19) 0.000(2)
  O2 0.023(3) 0.024(3) 0.016(3) -0.003(2) 0.008(2) -0.007(2)
  O3 0.015(3) 0.015(3) 0.024(3) -0.002(2) 0.002(2) -0.007(2)
  O4 0.025(3) 0.028(3) 0.018(3) 0.007(2) -0.002(2) -0.005(2)
  O5 0.017(3) 0.029(3) 0.021(3) 0.006(2) 0.000(2) 0.001(2)
  O6 0.029(3) 0.026(3) 0.014(3) -0.003(2) -0.001(2) -0.001(2)
  O7 0.027(3) 0.031(3) 0.030(3) 0.006(2) 0.003(2) 0.006(3)
  O8 0.018(3) 0.034(3) 0.029(3) 0.000(2) 0.011(2) 0.005(3)
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 O2 . 2.121(5) ?
  Sn1 O1 . 2.136(5) ?
  Sn1 Cl4 . 2.3591(19) ?
  Sn1 Cl2 . 2.386(2) ?
  Sn1 Cl1 . 2.388(2) ?
  Sn1 Cl3 . 2.3968(19) ?
  Sn2 O3 . 2.106(5) ?
  Sn2 O4 . 2.137(6) ?
  Sn2 Cl7 . 2.371(2) ?
  Sn2 Cl5 . 2.3775(19) ?
  Sn2 Cl6 . 2.3895(18) ?
  Sn2 Cl8 . 2.397(3) ?
  O1 H1 . 0.8368 ?
  O1 H2 . 0.8448 ?
  O2 H3 . 0.8530 ?
  O2 H4 . 0.8430 ?
  O3 H5 . 0.8420 ?
  O3 H6 . 0.8380 ?
  O4 H7 . 0.8336 ?
  O4 H8 . 0.8338 ?