data_2202161
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m57
_journal_page_last  m58
_publ_section_title
;
A potassium crown ether complex with dichloroaurate(I)
;
loop_
_publ_author_name
  'Hossain, Md. Alamgir'
  'Powell, Douglas R.'
  'Bowman-James, Kristin'
_chemical_formula_moiety  'K 1+, Au Cl2 1-, (C12 H24 O6)'
_chemical_formula_sum  'C12 H24 Au Cl2 K O6'
_chemical_formula_iupac  '[K (C12 H24 O6)] [Au Cl2]'
_chemical_formula_weight  571.28
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
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  8.7583(4)
_cell_length_b  7.9237(4)
_cell_length_c  13.8393(6)
_cell_angle_alpha  90.00
_cell_angle_beta  103.785(2)
_cell_angle_gamma  90.00
_cell_volume  932.76(8)
_cell_formula_units_Z  2
_cell_measurement_temperature  100(2)
_exptl_crystal_density_diffrn  2.034
_diffrn_ambient_temperature  100(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
  K1 0.5000 0.5000 0.5000 0.01508(12) Uani d S 1 . . K
  Au1 0.5000 1.0000 0.5000 0.01592(4) Uani d S 1 . . Au
  Cl1 0.68346(5) 0.83457(6) 0.45636(3) 0.02577(9) Uani d . 1 . . Cl
  O1 0.21989(13) 0.60565(15) 0.54438(9) 0.0194(2) Uani d . 1 . . O
  C2 0.11670(19) 0.7040(2) 0.47040(13) 0.0224(3) Uani d . 1 . . C
  H2A 0.1581 0.8201 0.4696 0.027 Uiso calc R 1 . . H
  H2B 0.0114 0.7103 0.4848 0.027 Uiso calc R 1 . . H
  C3 0.10560(19) 0.6203(2) 0.37168(13) 0.0224(3) Uani d . 1 . . C
  H3A 0.0726 0.5013 0.3745 0.027 Uiso calc R 1 . . H
  H3B 0.0265 0.6788 0.3194 0.027 Uiso calc R 1 . . H
  O4 0.25593(13) 0.62761(14) 0.34885(8) 0.0190(2) Uani d . 1 . . O
  C5 0.2505(2) 0.5690(2) 0.25103(13) 0.0218(3) Uani d . 1 . . C
  H5A 0.1803 0.6420 0.2016 0.026 Uiso calc R 1 . . H
  H5B 0.2089 0.4524 0.2428 0.026 Uiso calc R 1 . . H
  C6 0.4136(2) 0.5733(2) 0.23527(12) 0.0221(3) Uani d . 1 . . C
  H6A 0.4110 0.5486 0.1648 0.026 Uiso calc R 1 . . H
  H6B 0.4597 0.6869 0.2514 0.026 Uiso calc R 1 . . H
  O7 0.50738(14) 0.44985(17) 0.29831(9) 0.0188(2) Uani d . 1 . . O
  C8 0.6639(2) 0.4462(2) 0.28588(14) 0.0213(3) Uani d . 1 . . C
  H8A 0.7113 0.5600 0.2974 0.026 Uiso calc R 1 . . H
  H8B 0.6637 0.4112 0.2172 0.026 Uiso calc R 1 . . H
  C9 0.75772(19) 0.3232(2) 0.35897(12) 0.0208(3) Uani d . 1 . . C
  H9A 0.7008 0.2146 0.3556 0.025 Uiso calc R 1 . . H
  H9B 0.8606 0.3020 0.3434 0.025 Uiso calc 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
  K1 0.0135(3) 0.0188(3) 0.0135(3) 0.00158(13) 0.0043(2) 0.00069(13)
  Au1 0.01654(6) 0.01508(6) 0.01601(6) -0.00128(2) 0.00365(4) -0.00002(2)
  Cl1 0.02336(18) 0.02127(18) 0.0352(2) -0.00012(16) 0.01197(16) -0.00407(17)
  O1 0.0200(5) 0.0181(5) 0.0204(6) 0.0045(4) 0.0057(4) -0.0006(4)
  C2 0.0160(7) 0.0211(8) 0.0312(9) 0.0048(6) 0.0077(6) 0.0052(7)
  C3 0.0137(7) 0.0262(9) 0.0255(9) -0.0013(6) 0.0011(6) 0.0049(7)
  O4 0.0161(5) 0.0229(6) 0.0169(6) -0.0010(4) 0.0018(4) -0.0003(4)
  C5 0.0261(8) 0.0193(8) 0.0167(8) -0.0003(6) -0.0015(6) -0.0014(6)
  C6 0.0305(9) 0.0204(9) 0.0147(8) 0.0009(7) 0.0042(6) 0.0014(6)
  O7 0.0206(6) 0.0195(6) 0.0174(6) -0.0003(5) 0.0064(5) 0.0019(5)
  C8 0.0258(9) 0.0221(8) 0.0195(8) -0.0045(7) 0.0125(7) -0.0028(7)
  C9 0.0200(7) 0.0204(8) 0.0250(8) -0.0010(6) 0.0118(6) -0.0045(6)
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
  K1 O1 . 2.7955(11) ?
  K1 O4 . 2.7994(11) ?
  K1 O7 . 2.8353(12) ?
  K1 Cl1 . 3.2306(5) ?
  K1 Au1 . 3.9618(2) ?
  Au1 Cl1 . 2.2644(4) ?
  Au1 K1 1_565 3.9619(2) ?
  O1 C9 3_666 1.4214(19) ?
  O1 C2 . 1.4251(19) ?
  C2 C3 . 1.501(3) ?
  C3 O4 . 1.427(2) ?
  O4 C5 . 1.421(2) ?
  C5 C6 . 1.497(2) ?
  C6 O7 . 1.432(2) ?
  O7 C8 . 1.422(2) ?
  C8 C9 . 1.500(3) ?