#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004964.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_2004964
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1424
_journal_page_last     1426
_publ_section_title
;
Diphenyltin Diiodide
;
_chemical_formula_sum     'C12 H10 I2 Sn'
_chemical_formula_weight     526.71
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
'1/2+x,1/2-y,1/2+z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M     'P 21/c'
_cell_length_a     9.548(7)
_cell_length_b     11.924(11)
_cell_length_c     12.714(10)
_cell_angle_alpha     90
_cell_angle_beta     94.68(6)
_cell_angle_gamma     90
_cell_volume     1443(2)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     2.424
_cell_measurement_temperature     298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn .21397(7) .05703(5) .21018(5) .0452(2)
I1 .15287(10) .25475(6) .11184(7) .0689(3)
I2 .39800(9) .10823(7) .37307(6) .0652(3)
C1 .3067(10) -.0480(8) .0984(8) .048(2)
C2 .4418(11) -.0857(9) .1186(8) .052(2)
C3 .4997(11)
            -0.1533(10) .0453(9) .057(3)
C4 .4238(14)
            -0.1785(10) -.0473(9) .065(3)
C5 .2888(15)
            -0.1368(12) -.0700(10) .071(4)
C6 .2286(13) -.0709(11) .0033(9) .066(3)
C7 .0211(10) .0007(8) .2654(8) .048(2)
C8 -.0365(17) .0561(14) .3463(14) .095(6)
C9
  -0.1633(18) .0181(17) .3787(14) .093(6)
C10
   -0.2352(14) -.0676(15) .3287(14) .086(5)
C11
   -0.1762(13)
              -0.1205(12) .2485(12) .074(4)
C12 -.0478(12) -.0887(9) .2163(9) .055(3)
H2 .4950
        -0.0657 .1823 ?
H3 .5922
        -0.1821 .0593 ?
H4 .4639
        -0.2254
               -0.0972 ?
H5 .2383
        -0.1536
               -0.1355 ?
H6 .1362
        -0.0419
               -0.0106 ?
H8 .0097 .1189 .3794 ?
H9
  -0.2011 .0531 .4373 ?
H10
   -0.3244
          -0.0900 .3493 ?
H11
   -0.2249
          -0.1812 .2137 ?
H12
   -0.0075
          -0.1277 .1610 ?