#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005041.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_2005041
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1438
_journal_page_last    	1441
_publ_section_title    	
;
Disodium
Aqua[2,5,8-tris(carboxymethyl)-12-phenyl-2,5,8-triaza-11-oxa-1,9-dodecane
dicarboxylato(5-)]europate Sesquihydrate
;
_chemical_formula_iupac    	'Na2 [Eu (C22 H26 N3 O11)(H2 O1)], 1.5H2 O1'
_chemical_formula_moiety    	'C22 H28 Eu N3 O12 2-, (Na 1+)2, 1.5(H2 O1)'
_chemical_formula_sum    	'C22 H31 Eu N3 Na2 O13.5'
_chemical_formula_structural    	'(Eu (H2 O) (C22 H26 N3 O11)) Na2 (H2 O)1.5'
_chemical_formula_weight    	751.44
_symmetry_cell_setting    	triclinic
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	9.099(4)
_cell_length_b    	9.520(3)
_cell_length_c    	16.753(6)
_cell_angle_alpha    	102.46(3)
_cell_angle_beta    	92.34(3)
_cell_angle_gamma    	102.22(3)
_cell_volume    	1379.20(93)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.809
_cell_measurement_radiation    	MoK\a
_cell_measurement_wavelength    	0.71069
_cell_measurement_temperature    	298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Eu 0.25441(8) 0.20141(8) 0.35938(5) 0.0203(2)
Na1 0.6317(6) 0.4295(7) 0.4379(4) 0.046(2)
Na2 0.7823(8) 0.1387(7) 0.5130(4) 0.056(2)
O12 0.2996(12) 0.2194(12) 0.5071(7) 0.058(5)
O13 0.6837(11) 0.5447(11) 0.3257(7) 0.052(4)
O14 0.724(2) 0.187(2) 0.0438(13) 0.062(9)
O1 0.4216(11) -0.2814(11) 0.1736(7) 0.052(4)
O2 0.4954(9) 0.1640(9) 0.3805(5) 0.030(3)
O3 0.6441(9) 0.0034(9) 0.3888(6) 0.034(3)
N1 0.3502(11) -0.0069(11) 0.2389(6) 0.026(4)
O4 0.6009(13) 0.3045(12) 0.1921(8) 0.074(5)
O5 0.3876(11) 0.2902(10) 0.2559(6) 0.045(4)
N2 0.0302(12) 0.0581(12) 0.2456(7) 0.032(4)
O6 0.1459(9) -0.0385(9) 0.3777(6) 0.039(3)
O7 -0.0533(11) -0.2210(11) 0.3689(7) 0.055(4)
N3 0.1131(10) 0.3862(11) 0.3074(7) 0.027(4)
O8 0.3636(9) 0.4619(9) 0.4185(5) 0.030(3)
O9 0.3930(10) 0.7000(9) 0.4184(6) 0.038(4)
O10 0.0293(9) 0.2296(10) 0.4255(6) 0.035(3)
O11 -0.1562(9) 0.3420(10) 0.4586(6) 0.037(3)
C1 0.6194(17) -0.3570(17) 0.0887(10) 0.045(4)
C2 0.637(2) -0.247(2) 0.0446(11) 0.066(5)
C3 0.753(2) -0.218(2) 0.0016(14) 0.082(6)
C4 0.869(2) -0.280(2) 0.0091(13) 0.081(6)
C5 0.862(2) -0.378(2) 0.0503(11) 0.067(5)
C6 0.744(2) -0.418(2) 0.1019(13) 0.074(6)
C7 0.4833(15) -0.4016(15) 0.1323(9) 0.037(3)
C8 0.5211(14) -0.1914(14) 0.2435(8) 0.032(3)
C9 0.4370(14) -0.0810(14) 0.2917(8) 0.033(3)
C10 0.5354(13) 0.0322(14) 0.3573(8) 0.026(3)
C11 0.4527(14) 0.0721(14) 0.1903(8) 0.032(3)
C12 0.4851(16) 0.2333(15) 0.2124(9) 0.038(3)
C13 0.2103(13) -0.1007(13) 0.1913(8) 0.025(3)
C14 0.1051(14) -0.0057(14) 0.1733(8) 0.029(3)
C15 -0.0625(14) -0.0564(15) 0.2814(8) 0.032(3)
C16 0.0135(13) -0.1129(14) 0.3425(8) 0.028(3)
C17 -0.0547(14) 0.1623(14) 0.2238(8) 0.031(3)
C18 0.0485(13) 0.3149(13) 0.2227(7) 0.026(3)
C19 0.2345(13) 0.5226(13) 0.3086(7) 0.024(3)
C20 0.3424(13) 0.5695(13) 0.3863(8) 0.025(3)
C21 0.0052(13) 0.4305(13) 0.3653(7) 0.024(3)
C22 -0.0493(13) 0.3263(13) 0.4169(7) 0.024(3)
H2 0.5638(21) -0.1911(21) 0.0458(11) 0.0400(0)
H3 0.7531(23) -0.1555(24) -0.0340(14) 0.0400(0)
H4 0.9559(24) -0.2517(23) -0.0161(13) 0.0400(0)
H5 0.9400(21) -0.4276(21) 0.0472(11) 0.0400(0)
H6 0.7498(21) -0.4768(23) 0.1391(13) 0.0400(0)
H7A 0.4056(15) -0.4698(15) 0.0928(9) 0.0400(0)
H7B 0.5099(15) -0.4541(15) 0.1724(9) 0.0400(0)
H8A 0.6124(14) -0.1390(14) 0.2254(8) 0.0400(0)
H8B 0.5490(14) -0.2529(14) 0.2781(8) 0.0400(0)
H9 0.3612(14) -0.1382(14) 0.3191(8) 0.0400(0)
H11A 0.4110(14) 0.0398(14) 0.1334(8) 0.0400(0)
H11B 0.5478(14) 0.0420(14) 0.1934(8) 0.0400(0)
H13A 0.1609(13) -0.1695(13) 0.2222(8) 0.0400(0)
H13B 0.2348(13) -0.1573(13) 0.1401(8) 0.0400(0)
H14A 0.1620(14) 0.0745(14) 0.1522(8) 0.0400(0)
H14B 0.0277(14) -0.0646(14) 0.1306(8) 0.0400(0)
H15A -0.1435(14) -0.0165(15) 0.3067(8) 0.0400(0)
H15B -0.1088(14) -0.1396(15) 0.2368(8) 0.0400(0)
H17A -0.1287(14) 0.1771(14) 0.2630(8) 0.0400(0)
H17B -0.1089(14) 0.1194(14) 0.1700(8) 0.0400(0)
H18A 0.1285(13) 0.3015(13) 0.1872(7) 0.0400(0)
H18B -0.0100(13) 0.3758(13) 0.2021(7) 0.0400(0)
H19A 0.1871(13) 0.6030(13) 0.3039(7) 0.0400(0)
H19B 0.2916(13) 0.5034(13) 0.2613(7) 0.0400(0)
H21A -0.0813(13) 0.4438(13) 0.3344(7) 0.0400(0)
H21B 0.0526(13) 0.5254(13) 0.4010(7) 0.0400(0)