Yttrium ethyl­enediammonium squarate tetra­hydrate

Zenkhri, L.; Audebrand, N.; Bataille, T.

doi:10.1107/S1600536811011251

Volume 67
Part 5
Pages m529-m530
May 2011

Received 7 March 2011
Accepted 25 March 2011
Online 7 April 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.041
wR = 0.103
Data-to-parameter ratio = 15.9
Details

Yttrium ethylenediammonium squarate tetrahydrate

Louiza Zenkhri,^a ^* Nathalie Audebrand ^b and Thierry Bataille ^b

^aFaculté des Sciences et Technologie et Sciences de la Matière, Université Kasdi Merbah Ouargla, Route Gardaia, Ourgla, Algeria, and ^bLaboratoire Sciences Chimiques de Rennes (CNRS, UMR 6226), Université de Rennes 1, Avenue du Général Leclerc, 35042 Rennes Cedex, France
Correspondence e-mail: louizazenkhri@yahoo.fr

The title compound, {(C₂H₁₀N₂)_1.5[Y(C₄O₄)₃(H₂O)₄]}_n {systematic name: catena-poly[sesqui(ethylenediammonium) [[tetraaquabis(squarato- [kappa] O)yttrium(III)]- [mu] -squarato- [kappa] ²O:O']]}, was synthesized by slow evaporation of an acid solution. The asymetric unit contains one yttrium cation in an antiprismatic environnement, three squarate groups, one and a half protonated ethylenediamine molecules and four water molecules. YO₈ polyhedra are connected through bis(monodentate) squarates, leading to infinite zigzag chains, in between which are located ammonium groups. A framework of hydrogen bonds between protonated amine N atoms, water molecules and squarate anions ensures the cohesion of the structure.

Related literature

For a related structure, see: Kazerouni et al. (1994). The title compound was obtained together with two polymorphs of (C₂H₁₀N₂)(HC₄O₄)₂(H₂O) (Mathew et al., 2002; Zenkhri et al., 2011). For related yttrium squarates with potassium, see: Mahé & Bataille (2004).

Experimental

Crystal data

(C₂H₁₀N₂)_1.5[Y(C₄O₄)₃(H₂O)₄]
M_r = 590.27
Monoclinic, P 2₁ /c
a = 8.9780 (2) Å
b = 13.2864 (3) Å
c = 18.3970 (4) Å
= 90.935 (1)°
V = 2194.20 (8) Å³
Z = 4
Mo K radiation
= 2.75 mm^-1
T = 293 K
0.22 × 0.14 × 0.12 mm

Data collection

Nonius KappaCCD diffractometer
Absorption correction: analytical (de Meulenaer & Tompa, 1965) T_min = 0.583, T_max = 0.734
23285 measured reflections
5016 independent reflections
4140 reflections with I > 2(I)
R_int = 0.065

Refinement

R[F² > 2(F²)] = 0.041
wR(F²) = 0.103
S = 1.10
5016 reflections
316 parameters
H-atom parameters constrained
_max = 1.77 e Å^-3
_min = -0.62 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H12O3ⁱ	0.87	2.21	3.027 (4)	157
N1-H12O9ⁱⁱ	0.87	2.36	2.929 (4)	123
N1-H11O4ⁱ	0.87	2.36	2.995 (4)	131
N1-H11O7ⁱⁱ	0.87	2.28	2.987 (4)	138
N1-H13O6ⁱⁱ	0.87	2.36	2.970 (4)	127
N1-H13O12ⁱⁱ	0.87	2.26	3.032 (4)	148
N2-H23O2	0.85	1.87	2.707 (4)	167
N2-H21O4ⁱ	0.96	1.92	2.832 (4)	159
N2-H21O7ⁱⁱ	0.96	2.46	2.952 (4)	112
N2-H22O5ⁱⁱⁱ	0.95	2.01	2.929 (4)	163
N3-H31O4	0.87	2.22	2.843 (4)	129
N3-H32O8^iv	0.87	2.18	2.788 (4)	127
N3-H33OW1^v	0.87	2.40	2.997 (4)	126
OW1-H911O11^v	0.94	1.74	2.676 (3)	175
OW1-H912O5	0.93	1.78	2.687 (3)	166
OW2-H922O11	0.94	1.95	2.885 (4)	173
OW2-H921O10^v	0.94	1.79	2.726 (3)	179
OW3-H931O8^vi	0.93	1.94	2.857 (4)	172
OW3-H932O1ⁱ	0.94	2.04	2.954 (5)	163
OW4-H942O5^vi	0.92	1.86	2.779 (3)	172
OW4-H941O10^vii	0.93	1.86	2.761 (4)	163
Symmetry codes: (i) -x+1, -y, -z+2; (ii) $[x-1, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (iv) $[x-1, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (v) $[-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (vi) $[-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (vii) $[-x+2, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Data collection: COLLECT (Nonius, 2000); cell refinement: DIRAX/LSQ (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Berndt, 2001); software used to prepare material for publication: WinGX publication routines (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RU2003 ).

Acknowledgements

Grateful thanks are expressed to Dr T. Roisnel (Centre de Diffractométrie X, UMR CNRS 6226) for his assistance with the data collection.

References

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metal-organic compounds