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catena-Poly[[diaqualithium]-μ-[rac-cis-(2-carboxycyclo-hexane-1-carboxylato-κ2O 1:O 2]]

Graham Smith, Urs D. Wermuth and Michael L. Williams

Acta Cryst. (2011). E67, m1658

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Acta Cryst. (2011). E67, m1658 Smith et al. · [Li(C8H11O4)(H2O)2]

catena-Poly[[diaqualithium]-l-[rac-cis-(2-carboxycyclohexane-1-carboxylato-j2O1:O2]]

Graham Smith,a* Urs D. Wermutha and Michael L.

Williamsb

aFaculty of Science and Technology, Queensland University of Technology, GPO

Box 2434, Brisbane, Queensland 4001, Australia, and bSchool of Biomolecular and

Physical Sciences, Griffith University, Nathan, 4111, Australia

Correspondence e-mail: g.smith@qut.edu.au

Received 27 October 2011; accepted 27 October 2011

Key indicators: single-crystal X-ray study; T = 200 K; mean �(C–C) = 0.002 A;

R factor = 0.045; wR factor = 0.134; data-to-parameter ratio = 15.3.

In the structure of the title compound, [Li(C8H11O4)(H2O)2]n,

the distorted tetrahadral LiO4 coordination sphere comprises

two water molecules and two carboxyl O-atom donors from

separate bridging cis-2-carboxycyclohexane-1-carboxylate

monoanions [Li—O = 1.887 (4)–1.946 (3) A], giving chain

substructures which extend along [010]. Water–water and

water–carboxyl O—H� � �O hydrogen bonds stabilize these

chain structures and provide interchain links, resulting in a

two-dimensional layered structure extending parallel to (100).

Related literature

For the structure of an NiII complex derived from racemic cis-

cyclohexane-1,2-dicarboxylic acid, see: Zheng et al. (2008) and

for the structure of the corresponding Sr2+ complex, see:

Robertson & Harrison (2010). For the structure of lithium 3,5-

dinitrobenzoate, see: Yang & Ng (2007) and for lithium

hydrogenterephthalate pseudopolymorphs, see: Kuppers

(1978); Gonschorek & Kuppers (1975); Adiwidjaja & Kuppers

(1978).

Experimental

Crystal data

[Li(C8H11O4)(H2O)2]Mr = 214.14

Monoclinic, P21=ca = 16.2749 (5) A

b = 5.4568 (2) Ac = 12.0438 (5) A� = 97.533 (3)�

V = 1060.37 (7) A3

Z = 4

Mo K� radiation� = 0.11 mm�1

T = 200 K0.30 � 0.25 � 0.20 mm

Data collection

Oxford Diffraction Gemini-S CCD-detector diffractometer

Absorption correction: multi-scan(CrysAlis PRO; Oxford Diffrac-tion, 2010)Tmin = 0.97, Tmax = 0.99

5758 measured reflections2084 independent reflections1550 reflections with I > 2�(I)Rint = 0.023

Refinement

R[F 2 > 2�(F 2)] = 0.045wR(F 2) = 0.134S = 1.042084 reflections

136 parametersH-atom parameters constrained��max = 0.82 e A�3

��min = �0.39 e A�3

Table 1Hydrogen-bond geometry (A, �).

D—H� � �A D—H H� � �A D� � �A D—H� � �A

O1W—H11W� � �O11i 0.99 1.77 2.739 (2) 163O1W—H12W� � �O1W ii 0.90 2.26 3.164 (3) 180O2W—H21W� � �O12iii 0.90 1.89 2.7913 (19) 179O2W—H22W� � �O11iv 0.87 2.13 2.936 (2) 153O2W—H22W� � �O12iv 0.87 2.54 3.228 (2) 136O22—H22� � �O11v 0.90 1.70 2.5958 (17) 174

Symmetry codes: (i) x;�y þ 12; z þ 1

2; (ii) �x; y � 12;�z þ 3

2; (iii) �x;�y þ 1;�z þ 1; (iv)x; y þ 1; z; (v) x;�y � 1

2; z þ 12.

Data collection: CrysAlis PRO (Oxford Diffraction, 2010); cell

refinement: CrysAlis PRO; data reduction: CrysAlis PRO;

program(s) used to solve structure: SIR92 (Altomare et al., 1994);

program(s) used to refine structure: SHELXL97 (Sheldrick, 2008)

within WinGX (Farrugia, 1999); molecular graphics: PLATON

(Spek, 2009); software used to prepare material for publication:

PLATON.

The authors acknowledge financial support from the

Australian Research Council, the Faculty of Science and

Technology and the University Library, Queensland Univer-

sity of Technology and Griffith University.

Supplementary data and figures for this paper are available from theIUCr electronic archives (Reference: NG5258).

References

Adiwidjaja, G. & Kuppers, H. (1978). Acta Cryst. B34, 2003–2005.Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C.,

Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838.Gonschorek, W. & Kuppers, H. (1975). Acta Cryst. B31, 1068–1072.Kuppers, H. (1978). Acta Cryst. B34, 3763–3765.Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton,

England.Robertson, K. A. & Harrison, W. T. A. (2010). Acta Cryst. C66, m194–m196.Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.Spek, A. L. (2009). Acta Cryst. D65, 148–155.Yang, G. & Ng, S. W. (2007). Cryst. Res. Technol. 42, 201–206.Zheng, Y.-Z., Xue, W., Tong, M.-L., Chen, X.-M. & Zheng, S.-L. (2008). Inorg.

Chem. 47, 11202–11211.

metal-organic compounds

m1658 Smith et al. doi:10.1107/S1600536811045077 Acta Cryst. (2011). E67, m1658

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