#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200373.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_2200373
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i49
_journal_page_last  i51
_publ_section_title
;
BING-2: a layered tin--oxalate potassium fluoride, Sn(C~2~O~4~)KF
;
loop_
_publ_author_name
  'Salami, Tolulope O.'
  'Zavalij, Peter Y.'
  'Oliver, Scott R. J.'
_chemical_formula_sum  'C2 F K O4 Sn'
_chemical_formula_structural  'Sn (C2 O4) K F'
_chemical_formula_iupac  '[Sn (C2 O4)] K F'
_chemical_formula_weight  264.81
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
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  8.0692(5)
_cell_length_b  9.5398(6)
_cell_length_c  7.7245(4)
_cell_angle_alpha  90.00
_cell_angle_beta  111.6000(10)
_cell_angle_gamma  90.00
_cell_volume  552.86(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  273(2)
_exptl_crystal_density_diffrn  3.181
_diffrn_ambient_temperature  273(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
  Sn1  .86411(3)  .81285(2)  .49210(3)  .02678(8) Uani d . 1 . . Sn
  K1  .39785(10)  .82173(7)  .59318(9)  .03195(15) Uani d . 1 . . K
  F1  .6033(3)  .8618(2)  .3982(3)  .0390(4) Uani d . 1 . . F
  O1  .8055(3)  .6245(2)  .3074(3)  .0327(5) Uani d . 1 . . O
  O2  .7907(3)  .3916(2)  .3044(3)  .0337(5) Uani d . 1 . . O
  O3  .7898(3)  .6360(2)  .6399(3)  .0330(5) Uani d . 1 . . O
  O4  .7184(4)  .4100(2)  .6296(3)  .0405(6) Uani d . 1 . . O
  C1  .7884(4)  .5046(3)  .3763(4)  .0234(5) Uani d . 1 . . C
  C2  .7617(4)  .5140(3)  .5653(4)  .0256(6) Uani d . 1 . . C
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
  Sn1  .03053(13)  .01964(11)  .03241(12)  -.00227(8)  .01424(9)  -.00087(8)
  K1  .0423(4)  .0284(3)  .0310(3)  -.0060(3)  .0204(3)  -.0041(3)
  F1  .0317(10)  .0521(12)  .0368(10)  .0048(9)  .0167(8)  .0045(9)
  O1  .0564(15)  .0221(11)  .0244(10)  -.0029(10)  .0204(10)  .0007(8)
  O2  .0496(14)  .0218(11)  .0350(11)  -.0027(10)  .0218(10)  -.0073(8)
  O3  .0579(16)  .0205(10)  .0283(10)  -.0078(10)  .0251(10)  -.0058(8)
  O4  .0742(18)  .0224(12)  .0334(11)  -.0091(11)  .0297(12)  .0000(9)
  C1  .0256(14)  .0236(14)  .0221(12)  .0024(11)  .0101(11)  .0014(10)
  C2  .0327(16)  .0223(14)  .0234(12)  -.0044(12)  .0122(12)  -.0017(10)
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
  Sn1 F1 . 2.0122(19) yes
  Sn1 O1 . 2.234(2) yes
  Sn1 O3 . 2.239(2) yes
  Sn1 O3 4_575 2.608(2) yes
  Sn1 O1 4_576 2.714(2) yes
  Sn1 O2 3_766 3.288(2) yes
  K1 F1 . 2.6461(19) yes
  K1 O4 3_666 2.746(2) yes
  K1 O4 2_656 2.767(2) ?
  K1 O2 3_666 2.823(2) yes
  K1 F1 4_576 2.913(2) ?
  K1 O2 2_655 2.958(2) ?
  K1 F1 3_676 3.020(2) ?
  K1 O1 4_576 3.133(3) ?
  F1 K1 4_575 2.913(2) ?
  F1 K1 3_676 3.020(2) ?
  O1 C1 . 1.290(3) yes
  O1 K1 4_575 3.133(3) ?
  O2 C1 . 1.216(3) yes
  O2 K1 3_666 2.823(2) ?
  O2 K1 2_645 2.958(2) ?
  O3 C2 . 1.281(3) yes
  O4 C2 . 1.217(3) yes
  O4 K1 3_666 2.746(2) ?
  O4 K1 2_646 2.767(2) ?
  C1 C2 . 1.555(4) yes