#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011452.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_2011452
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e438
_journal_page_last  e438
_publ_section_title
;
Bis[4-(dimethylamino)pyridinium] hexachlorostannate(IV)
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Willett, Roger D.'
  'Haddad, Salim F.'
_chemical_name_common  (4-DMAP)2[SnCl6]
_chemical_formula_moiety  '2C7 H11 N2 1+, Sn1 Cl6 2-'
_chemical_formula_sum            'C14 H22 Cl6 N4 Sn'
_[local]_cod_chemical_formula_sum_orig 'C14 H22 Cl6 N4 Sn1'
_chemical_formula_iupac  '(C7 H11 N2)2 [Sn1 Cl6]'
_chemical_formula_weight  577.74
_symmetry_cell_setting  Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y+1/2, z+1/2'
_cell_length_a  8.3328(17)
_cell_length_b  11.680(2)
_cell_length_c  11.724(2)
_cell_angle_alpha  90.00
_cell_angle_beta  106.92(3)
_cell_angle_gamma  90.00
_cell_volume  1091.7(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.758
_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
  Sn  .5000  .5000  .0000  .03134(14) Uani d SP  .989(2) . . Sn
  Cl1  .50471(12)  .63254(7)  .16141(7)  .0573(3) Uani d . 1 . . Cl
  Cl2  .58090(12)  .34573(7)  .14365(7)  .0564(3) Uani d . 1 . . Cl
  Cl3  .79094(11)  .54174(10)  .02168(9)  .0663(3) Uani d . 1 . . Cl
  N1  .9065(3)  .3422(2)  .5524(2)  .0489(7) Uani d . 1 . . N
  C1  .8195(4)  .4351(3)  .5633(2)  .0391(7) Uani d . 1 . . C
  N2  .6484(4)  .6321(3)  .5846(4)  .0643(9) Uani d . 1 . . N
  C2  .8081(5)  .4737(3)  .6747(3)  .0528(9) Uani d . 1 . . C
  C4  .6528(5)  .5979(3)  .4765(4)  .0578(9) Uani d . 1 . . C
  C5  .7331(4)  .5015(3)  .4624(3)  .0461(8) Uani d . 1 . . C
  C3  .7220(5)  .5714(4)  .6811(4)  .0623(11) Uani d . 1 . . C
  C6  .9064(6)  .2969(4)  .4362(4)  .0626(11) Uani d . 1 . . C
  C7 1.0031(7)  .2747(5)  .6545(5)  .0742(13) Uani d . 1 . . C
  H6A  .945(7)  .351(5)  .397(5)  .13(2) Uiso d . 1 . . H
  H4  .593(4)  .645(3)  .417(3)  .056(10) Uiso d . 1 . . H
  H2  .870(5)  .432(3)  .737(3)  .066(12) Uiso d . 1 . . H
  H7B 1.045(6)  .331(5)  .712(4)  .11(2) Uiso d . 1 . . H
  H7A  .924(6)  .244(4)  .686(4)  .094(16) Uiso d . 1 . . H
  H5  .731(4)  .483(3)  .388(4)  .050(10) Uiso d . 1 . . H
  H6C  .803(6)  .272(4)  .387(4)  .081(13) Uiso d . 1 . . H
  H3  .709(5)  .590(4)  .756(4)  .088(13) Uiso d . 1 . . H
  H2'  .594(5)  .691(3)  .589(3)  .068(12) Uiso d . 1 . . H
  H6B  .974(7)  .242(5)  .453(5)  .12(2) Uiso d . 1 . . H
  H7C 1.098(7)  .249(5)  .634(5)  .13(2) Uiso d . 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
  Sn  .0338(2)  .03110(19)  .02929(18)  -.00423(11)  .00937(12)  .00026(10)
  Cl1  .0886(7)  .0444(5)  .0451(5)  -.0089(4)  .0290(4)  -.0106(4)
  Cl2  .0752(6)  .0434(5)  .0438(5)  -.0007(4)  .0063(4)  .0124(4)
  Cl3  .0401(5)  .0851(7)  .0745(6)  -.0151(5)  .0178(4)  .0008(5)
  N1  .0483(16)  .0497(17)  .0455(15)  .0081(13)  .0084(12)  .0054(12)
  C1  .0375(16)  .0409(18)  .0381(16)  -.0046(13)  .0098(13)  .0011(13)
  N2  .055(2)  .0481(19)  .094(3)  -.0010(15)  .0294(18)  -.0173(19)
  C2  .054(2)  .061(2)  .045(2)  -.0087(18)  .0160(17)  -.0010(17)
  C4  .051(2)  .050(2)  .067(2)  .0057(17)  .0093(18)  .0063(19)
  C5  .048(2)  .049(2)  .0391(18)  .0004(15)  .0090(14)  .0025(15)
  C3  .061(2)  .074(3)  .059(2)  -.021(2)  .028(2)  -.025(2)
  C6  .063(3)  .060(3)  .062(2)  .007(2)  .013(2)  -.013(2)
  C7  .072(3)  .074(3)  .071(3)  .018(2)  .013(3)  .027(3)
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
  Sn Cl3 3_665 2.4127(10) ?
  Sn Cl3 . 2.4127(10) ?
  Sn Cl2 . 2.4242(9) ?
  Sn Cl2 3_665 2.4242(9) ?
  Sn Cl1 3_665 2.4364(8) ?
  Sn Cl1 . 2.4364(8) ?
  N1 C1 . 1.331(4) ?
  N1 C6 . 1.461(5) ?
  N1 C7 . 1.464(5) ?
  C1 C2 . 1.411(4) ?
  C1 C5 . 1.423(4) ?
  N2 C3 . 1.325(5) ?
  N2 C4 . 1.340(5) ?
  C2 C3 . 1.362(6) ?
  C4 C5 . 1.344(5) ?