#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012404.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2012404
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1391
_journal_page_last  1392
_publ_section_title
;
1,3-Dichloro-1,1-dimethyl-3,3-diisopropyldistannoxane
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Lu, Yan'
  'Leng, Xuebing'
  'Wang, Honggen'
  'Xie, Qinglan'
  'Li, Jing'
_chemical_formula_moiety  'C16 H40 Cl4 O2 Sn4'
_chemical_formula_sum  'C16 H40 Cl4 O2 Sn4'
_chemical_formula_iupac  '[Sn4 Cl4 O2 (C H3)4 (C3 H7)4]'
_chemical_formula_weight  881.04
_symmetry_cell_setting  Monoclinic
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  10.268(4)
_cell_length_b  9.529(3)
_cell_length_c  15.315(5)
_cell_angle_alpha  90.00
_cell_angle_beta  101.023(6)
_cell_angle_gamma  90.00
_cell_volume  1470.8(9)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.989
_diffrn_ambient_temperature  293(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  .30550(4) 1.11003(4) 1.06854(2)  .03852(13) Uani d . 1 . . Sn
  Sn2  .05868(4)  .90184(4)  .92581(2)  .03557(13) Uani d . 1 . . Sn
  Cl1  .32541(15)  .92297(15)  .93441(10)  .0491(4) Uani d . 1 . . Cl
  Cl2  .21888(17) 1.26380(17) 1.17445(10)  .0616(5) Uani d . 1 . . Cl
  O1  .1173(3) 1.0456(3) 1.0254(2)  .0344(8) Uani d . 1 . . O
  C1  .3665(6) 1.2743(6)  .9938(4)  .0570(17) Uani d . 1 . . C
  H1A  .3694 1.3604 1.0266  .086 Uiso calc R 1 . . H
  H1B  .3048 1.2835  .9384  .086 Uiso calc R 1 . . H
  H1C  .4532 1.2539  .9822  .086 Uiso calc R 1 . . H
  C2  .4107(6)  .9748(6) 1.1652(3)  .0545(17) Uani d . 1 . . C
  H2A  .4190 1.0173 1.2228  .082 Uiso calc R 1 . . H
  H2B  .4974  .9579 1.1526  .082 Uiso calc R 1 . . H
  H2C  .3638  .8875 1.1643  .082 Uiso calc R 1 . . H
  C3  .0848(6)  .6897(5)  .9725(4)  .0461(15) Uani d . 1 . . C
  H3A  -.0023  .6559  .9805  .055 Uiso calc R 1 . . H
  C4  .1288(8)  .5953(6)  .9031(4)  .077(2) Uani d . 1 . . C
  H4A  .1386  .5008  .9251  .116 Uiso calc R 1 . . H
  H4B  .2122  .6280  .8913  .116 Uiso calc R 1 . . H
  H4C  .0634  .5977  .8492  .116 Uiso calc R 1 . . H
  C5  .1784(7)  .6763(7) 1.0621(4)  .0669(19) Uani d . 1 . . C
  H5A  .1852  .5795 1.0798  .100 Uiso calc R 1 . . H
  H5B  .1445  .7301 1.1059  .100 Uiso calc R 1 . . H
  H5C  .2646  .7109 1.0573  .100 Uiso calc R 1 . . H
  C6  .0199(6) 1.0060(6)  .7984(3)  .0506(16) Uani d . 1 . . C
  H6A  -.0761 1.0209  .7823  .061 Uiso calc R 1 . . H
  C7  .0597(9)  .9139(7)  .7263(4)  .086(3) Uani d . 1 . . C
  H7A  .0402  .9621  .6703  .129 Uiso calc R 1 . . H
  H7B  .0108  .8275  .7221  .129 Uiso calc R 1 . . H
  H7C  .1530  .8943  .7412  .129 Uiso calc R 1 . . H
  C8  .0859(7) 1.1500(6)  .8018(4)  .071(2) Uani d . 1 . . C
  H8A  .0655 1.1928  .7440  .107 Uiso calc R 1 . . H
  H8B  .1803 1.1395  .8194  .107 Uiso calc R 1 . . H
  H8C  .0534 1.2083  .8440  .107 Uiso calc R 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  .0304(2)  .0445(2)  .0394(2)  -.00084(19)  .00359(17)  .00525(19)
  Sn2  .0370(3)  .0384(2)  .0324(2)  .00557(19)  .00948(17)  -.00255(18)
  Cl1  .0339(9)  .0598(9)  .0573(9)  .0052(7)  .0182(7)  -.0029(8)
  Cl2  .0561(11)  .0731(11)  .0550(10)  .0023(9)  .0090(8)  -.0266(8)
  O1  .025(2)  .043(2)  .035(2)  -.0033(17)  .0044(16)  -.0073(17)
  C1  .054(5)  .051(4)  .070(4)  -.002(3)  .020(3)  .018(3)
  C2  .044(4)  .066(4)  .050(4)  .007(3)  .002(3)  .020(3)
  C3  .046(4)  .036(3)  .058(4)  -.001(3)  .014(3)  .000(3)
  C4  .090(6)  .050(4)  .087(5)  .020(4)  .005(5)  -.008(4)
  C5  .073(5)  .059(4)  .063(4)  .008(4)  .000(4)  .016(4)
  C6  .046(4)  .063(4)  .040(3)  -.002(3)  .000(3)  .009(3)
  C7  .130(8)  .093(6)  .036(4)  -.002(5)  .022(4)  -.012(4)
  C8  .088(6)  .062(4)  .062(4)  -.003(4)  .008(4)  .020(4)
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 O1 . 2.015(3) yes
  Sn1 C2 . 2.099(5) ?
  Sn1 C1 . 2.104(5) ?
  Sn1 Cl2 . 2.474(2) yes
  Sn1 Cl1 . 2.757(2) yes
  Sn2 O1 . 2.053(3) yes
  Sn2 O1 3_577 2.143(3) yes
  Sn2 C3 . 2.144(5) ?
  Sn2 C6 . 2.157(5) ?
  Sn2 Cl1 . 2.724(2) yes
  O1 Sn2 3_577 2.143(3) ?
  C1 H1A .  .9600 ?
  C1 H1B .  .9600 ?
  C1 H1C .  .9600 ?
  C2 H2A .  .9600 ?
  C2 H2B .  .9600 ?
  C2 H2C .  .9600 ?
  C3 C5 . 1.524(7) ?
  C3 C4 . 1.525(7) ?
  C3 H3A .  .9800 ?
  C4 H4A .  .9600 ?
  C4 H4B .  .9600 ?
  C4 H4C .  .9600 ?
  C5 H5A .  .9600 ?
  C5 H5B .  .9600 ?
  C5 H5C .  .9600 ?
  C6 C7 . 1.526(8) ?
  C6 C8 . 1.527(8) ?
  C6 H6A .  .9800 ?
  C7 H7A .  .9600 ?
  C7 H7B .  .9600 ?
  C7 H7C .  .9600 ?
  C8 H8A .  .9600 ?
  C8 H8B .  .9600 ?
  C8 H8C .  .9600 ?
_cod_database_code 2012404