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electronic reprintActa Crystallographica Section E
Structure ReportsOnline
ISSN 1600-5368
Editors: W.T.A. Harrison, H. Stoeckli-Evans,E. R.T. Tiekink and M. Weil
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
This open-access article is distributed under the terms of the Creative Commons Attribution Licencehttp://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, andreproduction in any medium, provided the original authors and source are cited.
Acta Crystallographica Section E
Structure ReportsOnlineEditors: W. Clegg and D. G. Watson
journals.iucr.org
International Union of Crystallography * Chester
ISSN 1600-5368
Volume 61
Part 11
November 2005
Inorganic compounds
Metal-organic compounds
Organic compounds
Acta Crystallographica Section E: Structure Reports Online is the IUCr’s highly popu-lar open-access structural journal. It provides a simple and easily accessible publicationmechanism for the growing number of inorganic, metal-organic and organic crystal struc-ture determinations. The electronic submission, validation, refereeing and publicationfacilities of the journal ensure very rapid and high-quality publication, whilst key indica-tors and validation reports provide measures of structural reliability. The journal publishesover 4000 structures per year. The average publication time is less than one month.
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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: [email protected]
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
Acta Crystallographica Section E
Structure ReportsOnline
ISSN 1600-5368
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