Poly[[diaqua­hexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]

Yu, D.-Y.; Liu, X.-Q.; Yuan, A.-H.

doi:10.1107/S1600536812016911

Volume 68
Part 5
Page i39
May 2012

Received 9 April 2012
Accepted 18 April 2012
Online 25 April 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean (N-C) = 0.010 Å
R = 0.037
wR = 0.098
Data-to-parameter ratio = 16.3
Details

Poly[[diaquahexa--cyanido-cerium(III)ferrate(III)] dihydrate]

Deng-Yong Yu,^a Xiao-Qing Liu ^a and Ai-Hua Yuan ^b ^*

^aSchool of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China, and ^bSchool of Biology and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China
Correspondence e-mail: aihuayuan@163.com

In the structure of the title complex, {[CeFe(CN)₆(H₂O)₂]·2H₂O}_n, the Ce^III and Fe^III atoms exhibit square antiprismatic [CeN₆(H₂O)₂] (site symmetry m2m) and octahedral [FeC₆] (site symmetry 2/m) coordination geometries, respectively. The metal atoms are linked alternately through the cyanide groups, forming a three-dimensional framework in which the {Ce₂Fe₂(CN)₄} puckered square unit is the basic building block. The crystal packing is enforced by O-HO and O-HN hydrogen bonds, including the uncoordinated water molecule which is located on a mirror plane.

Related literature

For general background to hexacyanidometalate(III)-based lanthanide complexes, see: Andruh et al. (2009). For related structures, see: Gramlich et al. (1990); Petter et al. (1989).

Experimental

Crystal data

[CeFe(CN)₆(H₂O)₂]·2H₂O
M_r = 424.15
Orthorhombic, C m c m
a = 7.3806 (11) Å
b = 12.7836 (19) Å
c = 13.619 (2) Å
V = 1285.0 (3) Å³
Z = 4
Mo K radiation
= 4.64 mm^-1
T = 173 K
0.22 × 0.20 × 0.17 mm

Data collection

Bruker APEXII diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2004) T_min = 0.428, T_max = 0.506
5578 measured reflections
831 independent reflections
785 reflections with I > 2(I)
R_int = 0.088

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.098
S = 1.06
831 reflections
51 parameters
H-atom parameters constrained
_max = 1.08 e Å^-3
_min = -2.69 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1AO2	0.85	2.08	2.807 (8)	144
O2-H2BN1ⁱ	0.85	2.28	3.126 (11)	177
Symmetry code: (i) $[-x+{\script{3\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RZ2741 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Jiangsu Province of China (No. BK2010343).

References

Andruh, M., Costes, J. P., Diaz, C. & Gao, S. (2009). Inorg. Chem. 48, 3342-3359.
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2004). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Gramlich, V., Petter, W. & Hulliger, F. (1990). Acta Cryst. C46, 724-726.
Petter, W., Gramlich, V. & Hulliger, F. (1989). J. Solid State Chem. 82, 161-167.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

inorganic compounds