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Volume 70 
Part 1 
Pages m25-m26  
January 2014  

Received 14 November 2013
Accepted 19 December 2013
Online 24 December 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.003 Å
R = 0.023
wR = 0.061
Data-to-parameter ratio = 12.9
Details
Open access

catena-Poly[[tri­aqua­magnesium]-[mu]2-malonato]

aBijvoet Center for Biomolecular Research, Crystal and Structural Chemistry, Faculty of Science, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands
Correspondence e-mail: m.lutz@uu.nl

In the title compound, [Mg(C3H2O4)(H2O)3]n, the metal atom is in an octa­hedral environment. The octa­hedra are connected by malonate anions, forming chains along the c-axis direction. O-H...O hydrogen bonds link these chains into a three-dimensional network.

Related literature

For related divalent metal malonates, see: Walter-Levy et al. (1973[Walter-Levy, L., Perrotey, J. & Visser, J. W. (1973). C. R. Acad. Sci. Ser. C, 277, 1351-1354.]); Ray & Hathaway (1982[Ray, N. J. & Hathaway, B. J. (1982). Acta Cryst. B38, 770-773.]); Delgado et al. (2004[Delgado, F. S., Hernandez-Molina, M., Sanchiz, J., Ruiz-Perez, C., Rodriguez-Martin, Y., Lopez, T., Lloret, F. & Julve, M. (2004). CrystEngComm, 6, 106-111.]); Zheng & Xie (2004[Zheng, Y.-Q. & Xie, H. Z. (2004). J. Coord. Chem. 57, 17-18.]). For the synthesis, see: Delgado et al. (2004[Delgado, F. S., Hernandez-Molina, M., Sanchiz, J., Ruiz-Perez, C., Rodriguez-Martin, Y., Lopez, T., Lloret, F. & Julve, M. (2004). CrystEngComm, 6, 106-111.]). For the geometry of coordinating water mol­ecules, see: Ptasiewicz-Bak et al. (1999[Ptasiewicz-Bak, H., Olovsson, I. & McIntyre, G. J. (1999). Acta Cryst. B55, 830-840.]). For the determination of the mol­ecular symmetry, see: Pilati & Forni (1998[Pilati, T. & Forni, A. (1998). J. Appl. Cryst. 31, 503-504.]). For ring puckering analysis, see: Evans & Boeyens (1989[Evans, D. G. & Boeyens, J. C. A. (1989). Acta Cryst. B45, 581-590.]).

[Scheme 1]

Experimental

Crystal data
  • [Mg(C3H2O4)(H2O)3]

  • Mr = 180.40

  • Orthorhombic, P n a 21

  • a = 19.8109 (15) Å

  • b = 5.9314 (4) Å

  • c = 6.0920 (4) Å

  • V = 715.84 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.24 mm-1

  • T = 150 K

  • 0.51 × 0.23 × 0.07 mm

Data collection
  • Bruker Kappa APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2012[Sheldrick, G. M. (2012). SADABS. University of Göttingen, Germany.]) Tmin = 0.618, Tmax = 0.746

  • 7334 measured reflections

  • 1603 independent reflections

  • 1533 reflections with I > 2[sigma](I)

  • Rint = 0.023

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.061

  • S = 1.10

  • 1603 reflections

  • 124 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.22 e Å-3

  • Absolute structure: Flack parameter determined using 674 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013[Parsons, S., Flack, H. D. & Wagner, T. (2013). Acta Cryst. B69, 249-259.])

  • Absolute structure parameter: 0.00 (9)

Table 1
Selected bond lengths (Å)

Mg1-O3i 2.0323 (18)
Mg1-O5 2.0377 (15)
Mg1-O4 2.0700 (16)
Mg1-O6 2.0706 (15)
Mg1-O1 2.0725 (15)
Mg1-O7 2.1273 (14)
Symmetry code: (i) x, y, z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H1O...O2ii 0.91 (3) 1.80 (3) 2.701 (2) 170 (3)
O5-H2O...O2iii 0.85 (4) 1.85 (4) 2.678 (2) 165 (3)
O6-H3O...O4iv 0.83 (3) 1.93 (3) 2.759 (2) 175 (3)
O6-H4O...O7v 0.73 (4) 2.11 (4) 2.838 (2) 177 (3)
O7-H5O...O3vi 0.86 (3) 2.11 (3) 2.963 (2) 172 (3)
O7-H6O...O1iii 0.78 (3) 1.93 (3) 2.703 (2) 169 (3)
Symmetry codes: (ii) [-x+2, -y+1, z+{\script{1\over 2}}]; (iii) x, y+1, z; (iv) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, z+{\script{1\over 2}}]; (v) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, z-{\script{1\over 2}}]; (vi) [-x+{\script{3\over 2}}, y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: Peakref (Schreurs, 2013[Schreurs, A. M. M. (2013). Peakref. Utrecht University, The Netherlands.]); data reduction: Eval15 (Schreurs et al., 2010[Schreurs, A. M. M., Xian, X. & Kroon-Batenburg, L. M. J. (2010). J. Appl. Cryst. 43, 70-82.]) and SADABS (Sheldrick, 2012[Sheldrick, G. M. (2012). SADABS. University of Göttingen, Germany.]); program(s) used to solve structure: SHELXT (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and DRAWxtl (Finger et al., 2007[Finger, L. W., Kroeker, M. & Toby, B. H. (2007). J. Appl. Cryst. 40, 188-192.]); method used to prepare material for publication: manual editing of the SHELXL output.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KJ2236 ).


Acknowledgements

The X-ray diffractometer was financed by the Netherlands Organization for Scientific Research (NWO).

References

Bruker (2007). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Delgado, F. S., Hernandez-Molina, M., Sanchiz, J., Ruiz-Perez, C., Rodriguez-Martin, Y., Lopez, T., Lloret, F. & Julve, M. (2004). CrystEngComm, 6, 106-111.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Evans, D. G. & Boeyens, J. C. A. (1989). Acta Cryst. B45, 581-590.  [CrossRef] [Web of Science] [IUCr Journals]
Finger, L. W., Kroeker, M. & Toby, B. H. (2007). J. Appl. Cryst. 40, 188-192.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Parsons, S., Flack, H. D. & Wagner, T. (2013). Acta Cryst. B69, 249-259.  [CrossRef] [ChemPort] [IUCr Journals]
Pilati, T. & Forni, A. (1998). J. Appl. Cryst. 31, 503-504.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Ptasiewicz-Bak, H., Olovsson, I. & McIntyre, G. J. (1999). Acta Cryst. B55, 830-840.  [Web of Science] [CrossRef] [IUCr Journals]
Ray, N. J. & Hathaway, B. J. (1982). Acta Cryst. B38, 770-773.  [CSD] [CrossRef] [IUCr Journals]
Schreurs, A. M. M. (2013). Peakref. Utrecht University, The Netherlands.
Schreurs, A. M. M., Xian, X. & Kroon-Batenburg, L. M. J. (2010). J. Appl. Cryst. 43, 70-82.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Sheldrick, G. M. (2012). SADABS. University of Göttingen, Germany.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Walter-Levy, L., Perrotey, J. & Visser, J. W. (1973). C. R. Acad. Sci. Ser. C, 277, 1351-1354.  [ChemPort]
Zheng, Y.-Q. & Xie, H. Z. (2004). J. Coord. Chem. 57, 17-18.  [CrossRef]


Acta Cryst (2014). E70, m25-m26   [ doi:10.1107/S1600536813034193 ]

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