#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000847.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000847
loop_
_publ_author_name
'Reuter, H.'
'Schr\"oder, D.'
_publ_section_title
;
 Trichloromethoxytin(IV) dimethanolate, SnCl~3~(OCH~3~).2CH~3~OH
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1112
_journal_page_last               1114
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C1 H3 Cl3 O1 Sn1,2(C1 H4 O1)'
_chemical_formula_sum            'C3 H11 Cl3 O3 Sn'
_[local]_cod_chemical_formula_sum_orig 'C3 H11 Cl3 O3 Sn1'
_chemical_formula_weight         320.19
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.88(2)
_cell_angle_beta                 102.04(3)
_cell_angle_gamma                114.80(2)
_cell_formula_units_Z            2
_cell_length_a                   7.552(2)
_cell_length_b                   8.114(2)
_cell_length_c                   9.714(4)
_cell_volume                     520.3(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.957
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_F_000             308
_[local]_cod_data_source_file    bx0564.cif
_[local]_cod_data_source_block   bx0564a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn(1) .45002(7) .57653(6) .34561(5) .0280(10)
Cl(1) .6617(3) .8234(3) .2526(3) .0530(10)
Cl(2) .1796(4) .4338(3) .1391(2) .0500(10)
Cl(3) .3029(4) .7501(3) .4415(2) .0440(10)
O(1) .6666(7) .6353(6) .5404(5) .031(2)
O(2) .5743(9) .4103(8) .2685(6) .046(3)
O(3) .3675(12) .0634(9) .2311(8) .071(4)
C(1) .8745(13) .7680(14) .5659(11) .069(4)
C(2) .729(2) .4444(18) .1988(18) .109(9)
C(3) .2337(2) -.0461(16) .1057(14) .088(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sn(1) Cl(1) 2.355(3)
Sn(1) Cl(2) 2.351(2)
Sn(1) Cl(3) 2.378(3)
Sn(1) O(1) 2.101(5)
Sn(1) O(2) 2.117(8)
O(1) C(1) 1.439(9)
O(2) C(2) 1.408(2)
O(3) C(3) 1.372(2)
_cod_database_code 2000847