#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005311.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_2005311
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1959
_journal_page_last              1961
_publ_section_title
;
Bis(2-hydroxybenzoato-O,O')dimethyltin
;
_chemical_formula_iupac        '[Sn (C7 H5 O3)2 (C H3)2]'
_chemical_formula_moiety        'C16 H16 O6 Sn'
_chemical_formula_sum          'C16 H16 O6 Sn'
_chemical_formula_weight        422.99
_symmetry_cell_setting          monoclinic
_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_
_symmetry_equiv_pos_as_xyz
        '   +x,   +y,   +z'
        '1/2-x,1/2+y,1/2-z'
        '   -x,   -y,   -z'
        '1/2+x,1/2-y,1/2+z'
_cell_length_a                  7.471(4)
_cell_length_b                  21.635(4)
_cell_length_c                  10.346(3)
_cell_angle_alpha               90
_cell_angle_beta                104.32(3)
_cell_angle_gamma               90
_cell_volume                    1620.2(9)
_cell_formula_units_Z           4
_exptl_crystal_density_diffrn   1.734
_cell_measurement_temperature   193
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn              .17576(4)       .05856(1)       .34951(3)       .02693(7)
O(1)            .1635(4)        -.0384(1)       .3691(3)        .0341(8)
O(2)            .0633(4)        -.0138(1)       .1580(3)        .0355(8)
O(3)            -.0610(4)       -.0994(1)       -.0225(3)       .0401(9)
O(4)            .2803(4)        .0548(1)        .5585(3)        .0321(7)
O(5)            .2769(4)        .1530(1)        .5019(3)        .0338(8)
O(6)            .4210(5)        .2361(1)        .6806(3)        .0426(9)
C(1)            .0949(6)        -.0552(2)       .2460(4)        .031(1)
C(2)            .0526(5)        -0.1202(2)      .2145(4)        .028(1)
C(3)            -.0263(6)       -0.1387(2)      .0825(4)        .031(1)
C(4)            -.0713(6)       -0.2003(2)      .0552(5)        .037(1)
C(5)            -.0407(7)       -0.2429(2)      .1560(5)        .043(1)
C(6)            .0398(7)        -0.2257(2)      .2874(5)        .040(1)
C(7)            .0845(6)        -0.1649(2)      .3149(4)        .034(1)
C(8)            .3167(5)        .1120(2)        .5900(4)        .029(1)
C(9)            .4107(5)        .1272(2)        .7300(4)        .028(1)
C(10)           .4602(5)        .1885(2)        .7663(4)        .029(1)
C(11)           .5577(6)        .2013(2)        .8976(4)        .034(1)
C(12)           .6018(6)        .1549(2)        .9887(4)        .038(1)
C(13)           .5530(6)        .0940(2)        .9544(4)        .038(1)
C(14)           .4555(6)        .0807(2)        .8255(4)        .032(1)
C(15)           .4117(7)        .0772(2)        .2815(5)        .043(1)
C(16)           -.0952(6)       .0913(2)        .3179(4)        .040(1)
H(3o)           -0.0043         -0.0678         .0291           .0309
H(4)            -0.1247         -0.2132         -0.0359         .0449
H(5)            -0.0754         -0.2857         .1357           .0512
H(6)            .0636           -0.2563         .3582           .0484
H(6o)           .3678           .2076           .6211           .0309
H(7)            .1396           -0.1527         .4063           .0411
H(11)           .5939           .2435           .9237           .0413
H(12)           .6687           .1645           1.0794          .0455
H(13)           .587            .0612           1.0199          .0455
H(14)           .4179           .0385           .8013           .0387
H(15c)          .4028           .1184           .2437           .0512
H(15a)          .5204           .0745           .3555           .0512
H(15b)          .4213           .0472           .2138           .0512
H(16c)          -0.1759         .0576           .3289           .0486
H(16a)          -0.0998         .1236           .382            .0486
H(16b)          -0.1356         .1078           .2283           .0486
_cod_database_code 2005311