#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200345.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_2200345
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m246
_journal_page_last  m247
_publ_section_title
;
A bent two-coordinate silver(I) complex with
2,2',3,3'-tetrahydro-4,4'-dithia-1,1'-binaphylidene
;
loop_
_publ_author_name
  'Wen, Ming'
  'Munakata, Megumu'
  'Suenaga, Yusaku'
  'Kuroda-Sowa, Takayoshi'
  'Maekawa, Masahiko'
  'Yan, Sheng Gang'
_chemical_formula_moiety  'C18 H16 Ag S2 1+, P F6 1-'
_chemical_formula_sum  'C18 H16 Ag F6 P S2'
_chemical_formula_iupac  '[Ag (C18 H16 S2)] P F6'
_chemical_formula_weight  549.28
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P c c n'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  1/2-x,1/2-y,z
  1/2+x,-y,1/2-z
  -x,1/2+y,1/2-z
  -x,-y,-z
  1/2+x,1/2+y,-z
  1/2-x,y,1/2+z
  x,1/2-y,1/2+z
_cell_length_a  7.109(3)
_cell_length_b  15.014(2)
_cell_length_c  17.139(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1829.4(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  200
_exptl_crystal_density_diffrn  1.994
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
  Ag(1)  .7500  .2500  .49647(2)  .02390(10)
  Uani d S 1.00 . . Ag
  S(1)  .82270(10)
  .09111(5)  .46812(4)  .0214(2) Uani d . 1.00 . . S
  P(1) 1.2500  .2500  .58480(6)  .0245(2) Uani d S 1.00 . . P
  F(1) 1.1204(4)  .2910(2)  .5183(2)  .0623(7) Uani d . 1.00 . . F
  F(2) 1.1207(6)  .2907(2)  .6489(2)  .0960(10)
  Uani d . 1.00 . . F
  F(3) 1.1306(3)  .16050(10)
  .58410(10)
  .0449(5) Uani d . 1.00 . . F
  C(1) 1.0162(4)  .1058(2)  .3995(2)  .0238(6) Uani d . 1.00 . . C
  C(2)  .9849(4)  .1817(2)  .3411(2)  .0231(6) Uani d . 1.00 . . C
  C(3)  .7793(4)  .2074(2)  .3324(2)  .0185(5) Uani d . 1.00 . . C
  C(4)  .6457(4)  .1324(2)  .3322(2)  .0190(5) Uani d . 1.00 . . C
  C(5)  .5154(4)  .1183(2)  .2733(2)  .0235(6) Uani d . 1.00 . . C
  C(6)  .3971(4)  .0451(2)  .2755(2)  .0270(6) Uani d . 1.00 . . C
  C(7)  .4084(4)  -.0152(2)  .3363(2)  .0267(6) Uani d . 1.00 . . C
  C(8)  .5367(4)  -.0023(2)  .3961(2)  .0233(6) Uani d . 1.00 . . C
  C(9)  .6533(4)  .0716(2)  .3942(2)  .0197(5) Uani d . 1.00 . . C
  H(1) 1.1274  .1181  .4283  .0286 Uiso calc . 1.00 . . H
  H(2) 1.0320  .0520  .3712  .0286 Uiso calc . 1.00 . . H
  H(3) 1.0531  .2324  .3584  .0277 Uiso calc . 1.00 . . H
  H(4) 1.0311  .1634  .2916  .0277 Uiso calc . 1.00 . . H
  H(5)  .5073  .1591  .2311  .0282 Uiso calc . 1.00 . . H
  H(6)  .3077  .0363  .2350  .0323 Uiso calc . 1.00 . . H
  H(7)  .3277  -.0656  .3372  .0320 Uiso calc . 1.00 . . H
  H(8)  .5447  -.0437  .4379  .0280 Uiso calc . 1.00 . . 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
  Ag(1)  .0270(2)  .0234(2)  .0214(2)  .00240(10)
  .0000  .0000
  S(1)  .0212(3)  .0228(3)  .0203(3)  .0020(3)  -.0026(3)  .0027(3)
  P(1)  .0281(5)  .0242(5)  .0212(5)  .0015(4)  .0000  .0000
  F(1)  .0490(10)
  .0560(10)
  .081(2)  -.0100(10)
  -.0320(10)
  .0240(10)
  F(2)  .156(3)  .0440(10)
  .088(2)  -.006(2)  .088(2)  -.0100(10)
  F(3)  .0550(10)
  .0370(10)
  .0430(10)
  -.0138(10)  .0090(10)
  .0010(9)
  C(1)  .0170(10)
  .0270(10)
  .0270(10)
  .0050(10)
  .0000(10)
  .0000(10)
  C(2)  .0190(10)
  .0250(10)
  .0250(10)
  .0040(10)
  .0030(10)
  .0010(10)
  C(3)  .0200(10)
  .0210(10)
  .0150(10)
  .0020(10)
  -.0003(10)  -.0002(10)
  C(4)  .0190(10)
  .0170(10)
  .0210(10)
  .0040(10)
  .0000(10)
  -.0020(10)
  C(5)  .0250(10)
  .0220(10)
  .0230(10)
  .0040(10)
  -.0040(10)
  -.0040(10)
  C(6)  .0220(10)
  .031(2)  .0280(10)
  .0030(10)
  -.0040(10)
  -.0110(10)
  C(7)  .0240(10)
  .0240(10)
  .032(2)  -.0020(10)
  .0030(10)
  -.0080(10)
  C(8)  .0250(10)
  .0200(10)
  .0250(10)
  .0010(10)
  .0050(10)
  -.0010(10)
  C(9)  .0190(10)
  .0210(10)
  .0200(10)
  .0040(10)
  .0010(10)
  -.0030(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ag(1) S(1) . . 2.4889(8) yes
  Ag(1) S(1) . 2_655 2.4889(8) no
  S(1) C(1) . . 1.823(3) yes
  S(1) C(9) . . 1.773(3) yes
  P(1) F(1) . . 1.590(3) no
  P(1) F(1) . 2_755 1.590(3) no
  P(1) F(2) . . 1.557(4) no
  P(1) F(2) . 2_755 1.557(4) no
  P(1) F(3) . . 1.589(2) no
  P(1) F(3) . 2_755 1.589(2) no
  C(1) C(2) . . 1.533(4) no
  C(2) C(3) . . 1.519(4) no
  C(3) C(3) . 2_655 1.346(5) no
  C(3) C(4) . . 1.473(4) no
  C(4) C(5) . . 1.387(4) no
  C(4) C(9) . . 1.402(4) no
  C(5) C(6) . . 1.383(4) no
  C(6) C(7) . . 1.384(4) no
  C(7) C(8) . . 1.385(4) no
  C(8) C(9) . . 1.385(4) no
_cod_database_code 2200345