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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005683.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_2005683
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2674
_journal_page_last 	2676
_publ_section_title 	
;
Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II),
[(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~]
;
_chemical_formula_iupac 	'(C8 H20 N) (C4 H12 N) [Cu Cl4]'
_chemical_formula_moiety 	'(C8 H20 N) 1+, (C4 H12 N) 1+, Cl4 Cu 2-'
_chemical_formula_sum 	'C12 H32 Cl4 Cu N2'
_chemical_formula_structural 	'(C8 H20 N, C4 H12 N) Cu Cl4'
_chemical_formula_weight 	409.74
_symmetry_cell_setting 	Tetragonal
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'
_symmetry_space_group_name_H-M 	'P -4 21 m'
_cell_length_a 	13.078(10)
_cell_length_b 	13.078(10)
_cell_length_c 	11.871(10)
_cell_angle_alpha 	90.00
_cell_angle_beta 	90.00
_cell_angle_gamma 	90.00
_cell_volume 	2030.3(28)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.340
_cell_measurement_temperature 	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Cu 1 0.74605(10) 0.24605(10) 0.80803(15) 0.0507(5)
 Cl1 1 0.7926(3) 0.0865(2) 0.7612(3) 0.0951(12)
 Cl2 1 0.7517(4) 0.2517(4) 0.9967(3) 0.106(2)
 Cl3 1 0.8503(2) 0.3503(2) 0.7081(3) 0.0801(12)
 N1 1 0.2897(6) 0.7897(6) 0.3923(8) 0.045(2)
 C111 1 0.3802(8) 0.7492(9) 0.3248(9) 0.067(3)
 H1111 1 0.3566(8) 0.7311(9) 0.2500(9) 0.101
 H1112 1 0.4301(8) 0.8036(9) 0.3167(9) 0.101
 C112 1 0.4323(10) 0.6571(10) 0.3765(11) 0.092(4)
 H1121 1 0.4883(10) 0.6364(10) 0.3295(11) 0.138
 H1122 1 0.3841(10) 0.6020(10) 0.3827(11) 0.138
 H1123 1 0.4574(10) 0.6746(10) 0.4500(11) 0.138
 C121 1 0.3227(9) 0.8227(9) 0.5087(14) 0.076(4)
 H1211 0.50 0.3479(9) 0.7633(9) 0.5489(14) 0.114
 H1212 0.50 0.2633(9) 0.8479(9) 0.5489(14) 0.114
 C122 1 0.4039(10) 0.9039(10) 0.5107(16) 0.089(5)
 H1221 1 0.4206(10) 0.9203(10) 0.5873(16) 0.134
 H1222 0.50 0.3792(10) 0.9641(10) 0.4732(16) 0.134
 H1223 0.50 0.4639(10) 0.8793(10) 0.4728(16) 0.134
 C131 1 0.2095(10) 0.7095(10) 0.4090(16) 0.087(5)
 H1311 0.50 0.2387(10) 0.6541(10) 0.4528(16) 0.130
 H1312 0.50 0.1541(10) 0.7387(10) 0.4528(16) 0.130
 C132 1 0.1659(11) 0.6659(11) 0.3019(15) 0.090(5)
 H1321 1 0.1150(11) 0.6157(11) 0.3200(15) 0.135
 H1322 0.50 0.2196(11) 0.6345(11) 0.2590(15) 0.135
 H1323 0.50 0.1354(11) 0.7198(11) 0.2585(15) 0.135
 N2 1 0.0000 0.0000 0.0000 0.064(5)
 C2 1 0.0321(10) 0.0869(10) -0.0709(11) 0.081(3)
 H21 1 -0.0240(10) 0.1082(10) -0.1174(11) 0.122
 H22 1 0.0883(10) 0.0664(10) -0.1177(11) 0.122
 H23 1 0.0529(10) 0.1427(10) -0.0237(11) 0.122
 N3 1 0.0000 0.5000 0.0054(14) 0.056(5)
 C31 0.25 -0.023(5) 0.607(3) -0.031(5) 0.105(10)
 H311 0.25 -0.057(2) 0.606(3) -0.102(5) 0.157
 H312 0.25 0.040(5) 0.644(3) -0.038(5) 0.157
 H313 0.25 -0.065(5) 0.639(3) 0.025(5) 0.157
 C32 0.25 -0.100(3) 0.443(4) 0.024(4) 0.105(10)
 H321 0.25 -0.133(3) 0.431(4) -0.047(4) 0.157
 H322 0.25 -0.144(3) 0.483(4) 0.072(4) 0.157
 H323 0.25 -0.086(3) 0.378(4) 0.060(4) 0.157
 C33 0.25 0.051(4) 0.518(4) 0.114(3) 0.105(10)
 H331 0.25 0.066(4) 0.453(4) 0.149(3) 0.157
 H332 0.25 0.008(4) 0.557(4) 0.162(3) 0.157
 H333 0.25 0.114(4) 0.554(4) 0.101(3) 0.157
 C34 0.50 0.060(2) 0.441(2) -0.076(4) 0.105(10)
 H341 0.25 0.020(2) 0.431(2) -0.144(4) 0.157
 H342 0.25 0.076(2) 0.375(2) -0.045(4) 0.157
 H343 0.25 0.122(2) 0.476(2) -0.094(4) 0.157