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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/16/2001673.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_2001673
loop_
_publ_author_name
'Lambert, J. B.'
'Kuhlmann, B.'
'Stern, C. L.'
_publ_section_title
;
 Structure of the dimer of dibutylhydroxystannyl perchlorate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              887
_journal_page_last               890
_journal_paper_doi               10.1107/S0108270192011648
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H19 Cl1 O5 Sn1'
_chemical_formula_sum            'C8 H19 Cl O5 Sn'
_chemical_formula_weight         349.38
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.97(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.749(3)
_cell_length_b                   8.300(2)
_cell_length_c                   14.725(2)
_cell_volume                     1393.5(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.03
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_F_000             696
_cod_data_source_file            br1020.cif
_cod_data_source_block           br1020_structure_1_of_1
_cod_original_cell_volume        1393.0(10)
_cod_original_formula_sum        'C8 H19 Cl1 O5 Sn1'
_cod_database_code               2001673
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn -.00939(4) .09529(6) .39633(3)
Cl -.0859(2) .4871(2) .32100(10)
O1 -.0613(5) .4026(6) .2424(3)
O2 -.0824(4) .3687(6) .3958(3)
O3 -.1975(6) .5622(9) .2978(4)
O4 .0051(6) .6058(7) .3525(4)
O5 -.0363(5) .1252(7) .5298(4)
C1 .1589(6) .1910(10) .4016(5)
C2 .2048(6) .3080(10) .4813(6)
C3 .3232(8) .3790(10) .4772(7)
C4 .3640(10) .509(2) .5490(10)
C5 -.1745(7) .0290(10) .3099(5)
C6 -.2773(6) .0700(10) .3525(6)
C7 -.3934(8) .0010(10) .2953(7)
C8 -.4951(9) .035(2) .3390(10)
H19 -.037(7) .220(10) .545(6)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O2 Sn O5 75.9(2)
O2 Sn O5 148.3(2)
O2 Sn C1 88.5(2)
O2 Sn C5 88.2(3)
O5 Sn O5 72.4(2)
O5 Sn C1 105.9(2)
O5 Sn C5 105.8(3)
O5 Sn C1 100.8(3)
O5 Sn C5 99.5(3)
C1 Sn C5 146.2(3)
O1 Cl O2 107.6(3)
O1 Cl O3 111.9(4)
O1 Cl O4 108.2(4)
O2 Cl O3 109.4(3)
O2 Cl O4 109.3(4)
O3 Cl O4 110.3(4)
Sn O2 Cl 125.1(3)
Sn O5 Sn 107.6(2)
Sn O5 H19 114(6)
Sn O5 H19 134(6)
Sn C1 C2 115.0(5)
C1 C2 C3 112.0(7)
C2 C3 C4 113.1(7)
Sn C5 C6 113.2(5)
C5 C6 C7 112.1(7)
C6 C7 C8 112.5(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sn O2 2.425(5)
Sn O5 2.080(5)
Sn O5 2.131(5)
Sn C1 2.116(7)
Sn C5 2.120(8)
Cl C1 1.442(5)
Cl O2 1.469(5)
Cl O3 1.417(6)
Cl O4 1.446(6)
O5 H19 0.81(9)
C1 C2 1.520(10)
C2 C3 1.530(10)
C3 C4 1.500(10)
C5 C6 1.530(10)
C6 C7 1.530(10)
C7 C8 1.520(10)
