#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010489.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_2010489
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  220
_journal_page_last  222
_publ_section_title
;
Tetraethylammonium Tetramethylammonium
Tetrachlorozincate(II),
[(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~
;
loop_
_publ_author_name
  'Ca\"etano, Odile'
  'Lapasset, Jacques'
  'Saint Gr\'egoire, Pierre'
_chemical_formula_sum  'C12 H32 Cl4 N2 Zn1'
_chemical_formula_structural  '[N (C2 H5 )4 ] [N (C H3 )4 ] Zn Cl4'
_chemical_formula_weight  411.61
_symmetry_cell_setting  Tetragonal
_symmetry_space_group_name_H-M  'P -4 21 m'
loop_
_symmetry_equiv_pos_as_xyz
  '+x,+y,+z'
  '-x,-y,z'
  'y,-x,-z'
  '-y,x,-z'
  '-x+1/2,y+1/2,-z'
  'x+1/2,-y+1/2,-z'
  '-y+1/2,-x+1/2,z'
  'y+1/2,x+1/2,z'
_cell_length_a  13.087(2)
_cell_length_b  13.087(2)
_cell_length_c  11.7930(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  2019.8(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  1.353
_diffrn_ambient_temperature  298
_refine_ls_R_factor_obs  0.041
_refine_ls_wR_factor_obs  0.042
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_calc_attached_atom
_atom_site_occupancy
  Zn .74600(10)
  .24600(10)
  .81270(10)
  .0366(4) Uani ? ? 1
  Cl1 .7841(2) .0835(2) .7612(2) .074(2) Uani ? ? 1
  Cl2 .7581(4) .2581(4) 1.0039(2) .073(2) Uani ? ? 1
  Cl3 .8539(4) .3539(4) .7205(3) .075(2) Uani ? ? 1
  N1 .2910(10)
  .7910(10)
  .3937(7) .048(2) Uiso ? ? 1
  N2 .0000 .0000 .0000 .057(5) Uiso ? ? 1
  N3 .0000 .5000 .0120(10)
  .052(4) Uiso ? ? 1
  C111 .3798(6) .7496(7) .3244(7) .065(2) Uiso ? N1 1
  C112 .4325(8) .6575(7) .3781(8) .086(3) Uiso ? N1 1
  C121 .3280(10)
  .8280(10)
  .5090(10)
  .066(4) Uiso ? N1 1
  C122 .407(2) .907(2) .5040(10)
  .103(5) Uiso ? N1 1
  C131 .211(2) .711(2) .4150(10)
  .068(4) Uiso ? N1 1
  C132 .165(2) .665(2) .3097(12) .088(5) Uiso ? N1 1
  C2 .0336(8) .0884(7) -.0745(9) .076(3) Uiso ? N2 1
  C31 -.021(3) .612(3) -.025(3)  .059(5) Uiso ? N3 .25
  C32 -.097(2) .445(2) .030(2)  .059(5) Uiso ? N3 .25
  C33 .051(2) .522(2) .125(2) .059(5) Uiso ? N3 .25
  C34 .075(2) .459(2) -.064(3) .059(5) Uiso ? N3 .25
  H1111 .3512(6) .7272(7) .2421(7) .080(10)
  Uiso calc C111 1
  H1112 .4356(6) .8097(6) .3143(6) .080(10)
  Uiso calc C111 1
  H1121 .4944(8) .6325(7) .3241(8) .13(2) Uiso calc C112 1
  H1122 .3780(8) .5962(7) .3880(8) .13(2) Uiso calc C112 1
  H1123 .4625(8) .6787(7) .4601(8) .13(2) Uiso calc C112 1
  H1211 .3580(10)
  .7630(10)
  .5550(10)
  .080(10)
  Uiso calc C121 .5
  H1212 .2630(10)
  .8580(10)
  .5550(10)
  .080(10)
  Uiso calc C121 .5
  H1221 .4287(16) .9287(16) .5890(10)
  .13(2) Uiso calc C122 .5
  H1222 .3777(16) .973(2) .459(2) .13(2) Uiso calc C122 .5
  H1223 .473(2) .8777(16) .459(2) .13(2) Uiso calc C122 .5
  H1311 .2456(15) .650(2) .4640(10)
  .080(10)
  Uiso calc C131 .5
  H1312 .150(2) .7456(15) .4640(10)
  .080(10)
  Uiso calc C131 .5
  H1321 .1089(16) .6089(16) .3330(10)
  .13(2) Uiso calc C132 .5
  H1322 .2248(16) .6295(16) .2600(10)
  .13(2) Uiso calc C132 .5
  H1323 .1295(16) .7248(16) .2600(10)
  .13(2) Uiso calc C132 .5
  H21 .0576(8) .1514(7) -.0217(9) .101(12) Uiso calc C2 1
  H22 -.0294(8) .1123(7) -.1273(9) .101(12) Uiso calc C2 1
  H23 .0966(8) .0643(7) -.1273(9) .101(12) Uiso calc C2 1
  H311 -.059(3) .613(2) -.106(3) .09(3) Uiso calc C31 .25
  H312 .050(3)  .654(2) -.031(3)  .09(3) Uiso calc C31 .25
  H313 -.070(3)  .649(2)  .038(3)  .09(3) Uiso calc C31 .25
  H321 -.132(2) .430(2)  -.052(2) .09(3) Uiso calc C32 .25
  H322 -.147(2) .490(2) .0811(2) .09(3) Uiso calc C32 .25
  H323 -.0815(2) .3729(2) .072(2)  .09(3) Uiso calc C32 .25
  H331 .072(2) .450(2) .165(2) .09(3) Uiso calc C33 .25
  H332 -.001(2) .563(2) .179(2) .09(3) Uiso calc C3 .25
  H333 .119(2) .567(2) .111(2) .09(3) Uiso calc C33 .25
  H341 .039(2) .443(2) -.145(3) .09(3) Uiso calc C34 .25
  H342 .106(2) .389(2) -.030(2)  .09(3) Uiso calc C34 .25
  H343 .136(2) .513(3) -.076(3) .09(3) Uiso calc C34 .25
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
  Zn .0374(4) .0374(4) .0349(5) -.0008(8) -.0044(4) -.0044(5)
  Cl1 .0986(17) .0524(11) .0718(12) .0152(11) -.0277(13) -.0088(11)
  Cl2 .0870(12) .0870(12) .0461(12) .008(3) -.0074(11) -.0074(11)
  Cl3 .0750(13) .0750(13) .08(2)  -.0155(18) .0071(11) .0071(11)
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
  Zn Cl1 . . 2.267(6) yes
  Zn Cl2 . . 2.266(6) yes
  Zn Cl3 . . 2.274(7) yes
  N1 C111 . . 1.52(2) yes
  N1 C121 . . 1.52(2) yes
  N1 C131 . . 1.50(2)  yes
  N2 C2 . . 1.52(2) yes
  N3 C31 . . 1.56(3) yes
  N3 C32 . . 1.47(3) yes
  N3 C33 . . 1.51(3) yes
  N3 C34 . . 1.44(3) yes
  C111 C112 . . 1.530(10)
  yes
  C121 C122 . . 1.47(3)  yes
  C131 C132 . . 1.50(2)  yes