#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006183.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_2006183
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1997
_journal_volume 53
_journal_page_first 727
_journal_page_last 729
_publ_section_title
;
 (2,2'-Bipyridine-N,N')(\m-thiosulfato)cadmium(II)
;
_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
 "Baggio, Sergio"
 "Pardo, Maria I."
 "Baggio, Ricardo"
 "Garland, Maria Teresa"
_chemical_formula_moiety '(Cd 2+), (S2 O3 2-), (C10 H8 N2)'
_chemical_formula_sum            'C10 H8 Cd N2 O3 S2'
_[local]_cod_chemical_formula_sum_orig 'C10 H8 Cd1 N2 O3 S2'
_chemical_formula_weight 380.71
_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 10.199(2)
_cell_length_b 6.5430(10)
_cell_length_c 18.145(3)
_cell_angle_alpha 90.00
_cell_angle_beta 104.770(10)
_cell_angle_gamma 90.00
_cell_volume 1170.8(3)
_cell_formula_units_Z 4
_cell_measurement_temperature 293(2)
_exptl_crystal_density_diffrn 2.16
_diffrn_ambient_temperature 293(2)
_refine_ls_R_factor_obs  .0220
_refine_ls_wR_factor_obs  .0506
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
 Cd1  .67793(2)  .18093(4)  .806750(10)
  .02440(10)
   Uani d . 1 . Cd
 S1  .88461(8)  .00178(12)  .77696(4)  .0243(2) Uani d . 1 . S
 S2  .93715(8)  .22435(12)  .70746(4)  .0230(2) Uani d . 1 . S
 O1  .9566(2)  .4078(3)  .75656(12)  .0293(5) Uani d . 1 . O
 O2 1.0608(2)  .1570(4)  .68993(15)  .0386(6) Uani d . 1 . O
 O3  .8232(3)  .2524(4)  .64132(13)  .0385(6) Uani d . 1 . O
 N1  .7775(3)  .2325(4)  .93477(15)  .0274(6) Uani d . 1 . N
 N2  .5080(3)  .2034(4)  .87030(15)  .0265(6) Uani d . 1 . N
 C1  .9122(3)  .2404(6)  .9647(2)  .0355(8) Uani d . 1 . C
 H1A  .9698  .2277  .9306  .080 Uiso d R 1 . H
 C2  .9701(4)  .2753(6) 1.0412(2)  .0400(9) Uani d . 1 . C
 H2B 1.0667  .2733 1.0617  .080 Uiso d R 1 . H
 C3  .8846(4)  .3050(6) 1.0878(2)  .0385(9) Uani d . 1 . C
 H3B  .9203  .3353 1.1409  .080 Uiso d R 1 . H
 C4  .7463(4)  .2938(5) 1.0587(2)  .0331(8) Uani d . 1 . C
 H4A  .6861  .3132 1.0910  .080 Uiso d R 1 . H
 C5  .6945(3)  .2560(5)  .9809(2)  .0230(7) Uani d . 1 . C
 C6  .5461(3)  .2373(5)  .9456(2)  .0236(7) Uani d . 1 . C
 C7  .4514(4)  .2484(5)  .9888(2)  .0323(8) Uani d . 1 . C
 H7A  .4800  .2748 1.0426  .080 Uiso d R 1 . H
 C8  .3149(4)  .2257(6)  .9528(2)  .0385(9) Uani d . 1 . C
 H8A  .2481  .2327  .9816  .080 Uiso d R 1 . H
 C9  .2768(4)  .1940(6)  .8754(2)  .0396(9) Uani d . 1 . C
 H9A  .1827  .1804  .8492  .080 Uiso d R 1 . H
 C10  .3750(3)  .1841(6)  .8360(2)  .0342(8) Uani d . 1 . C
 H10A  .3479  .1593  .7821  .080 Uiso d 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
 Cd1  .02876(14)  .02519(15)  .02100(13)  -.00094(10)  .00954(9)  -.00153(10)
 S1  .0305(4)  .0206(4)  .0244(4)  .0004(3)  .0120(3)  .0011(3)
 S2  .0248(4)  .0228(4)  .0231(4)  .0003(3)  .0092(3)  .0007(3)
 O1  .0336(12)  .0208(11)  .0326(12)  -.0007(10)  .0068(10)  -.0029(10)
 O2  .0375(14)  .0362(14)  .052(2)  .0037(11)  .0293(12)  .0022(12)
 O3  .0418(14)  .0463(15)  .0241(12)  .0010(12)  .0027(11)  .0042(11)
 N1  .0293(14)  .0291(15)  .0246(13)  -.0011(12)  .0079(11)  -.0027(12)
 N2  .0290(14)  .0260(15)  .0260(13)  .0007(12)  .0095(11)  .0006(12)
 C1  .030(2)  .040(2)  .036(2)  .000(2)  .009(2)  -.005(2)
 C2  .035(2)  .041(2)  .039(2)  .001(2)  .002(2)  .000(2)
 C3  .049(2)  .035(2)  .027(2)  .007(2)  .000(2)  -.002(2)
 C4  .044(2)  .032(2)  .023(2)  .005(2)  .0078(15)  .0006(15)
 C5  .034(2)  .0165(14)  .0200(15)  .0011(13)  .0098(13)  -.0006(13)
 C6  .031(2)  .0166(15)  .025(2)  .0026(13)  .0094(13)  .0025(13)
 C7  .043(2)  .028(2)  .031(2)  .004(2)  .019(2)  .0012(15)
 C8  .037(2)  .034(2)  .050(2)  .003(2)  .023(2)  .004(2)
 C9  .031(2)  .039(2)  .049(2)  .004(2)  .010(2)  .002(2)
 C10  .030(2)  .039(2)  .031(2)  .001(2)  .0049(14)  .001(2)
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
 Cd1 N1 . 2.311(3) Y
 Cd1 N2 . 2.319(3) Y
 Cd1 O1 2_646 2.365(2) Y
 Cd1 S1 2_656 2.5744(9) Y
 Cd1 S1 . 2.5866(8) Y
 S1 S2 . 2.0840(11) Y
 S1 Cd1 2_646 2.5744(9) Y
 S2 O2 . 1.445(2) Y
 S2 O3 . 1.454(2) Y
 S2 O1 . 1.478(2) Y
 O1 Cd1 2_656 2.365(2) Y
 N1 C5 . 1.343(4) Y
 N1 C1 . 1.343(4) Y
 N2 C6 . 1.341(4) Y
 N2 C10 . 1.346(4) Y
 C1 C2 . 1.382(5) Y
 C2 C3 . 1.375(6) Y
 C3 C4 . 1.376(5) Y
 C4 C5 . 1.398(4) Y
 C5 C6 . 1.490(4) Y
 C6 C7 . 1.393(4) Y
 C7 C8 . 1.387(5) Y
 C8 C9 . 1.374(5) Y
 C9 C10 . 1.372(5) Y