data_2010302
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1904
_journal_page_last  1906
_publ_section_title
;
Trichloromethyltin(IV)
;
loop_
_publ_author_name
  'Frank, Walter'
  'Reiss, Guido J.'
  'Kuhn, Dietmar'
_chemical_name_common  methyltin(IV)trichlorine
_chemical_formula_sum  'C H3 Cl3 Sn'
_chemical_formula_weight  240.07
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P n m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z'
  'x+1/2, -y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z'
  '-x-1/2, y-1/2, z-1/2'
_cell_length_a  6.4110(10)
_cell_length_b  9.564(2)
_cell_length_c  10.637(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  652.2(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.445
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  0.0446
_refine_ls_wR_factor_obs  0.0860
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Sn 0.02310(8) 0.2500 0.52960(4) 0.0488(2) Uani d SD 1 . Sn
  Cl1 0.2001(3) 0.2500 0.3434(2) 0.0746(6) Uani d S 1 . Cl
  Cl2 0.1692(3) 0.4354(2) 0.63900(14) 0.0781(5) Uani d . 1 . Cl
  C -0.3004(13) 0.2500 0.5314(9) 0.073(2) Uani d SD 1 . C
  H1 -0.362(4)  0.2500 0.615(3)  0.18(3)  Uiso d SD 1 . H
  H2 -0.364(4)  0.169(6)  0.487(4)  0.18(3)  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
  Sn 0.0450(3) 0.0522(3) 0.0491(3) 0.000 -0.0023(2) 0.000
  Cl1 0.0650(12) 0.099(2) 0.0595(9) 0.000 0.0115(10) 0.000
  Cl2 0.0923(11) 0.0628(8) 0.0793(9) -0.0047(9) -0.0233(8) -0.0144(7)
  C 0.045(3) 0.091(6) 0.083(5) 0.000 0.005(4) 0.000
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
  Sn C . 2.074(8) yes
  Sn Cl1 . 2.283(2) yes
  Sn Cl2 7_565 2.3180(10)
  ?
  Sn Cl2 . 2.3180(10)
  yes
  Sn Cl2 5_565 3.714(2) yes
  C H1 . 0.980(10)
  no
  C H2 . 0.99(2) no