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Volume 69 
Part 9 
Pages m502-m503  
September 2013  

Received 3 July 2013
Accepted 12 August 2013
Online 17 August 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.023
wR = 0.063
Data-to-parameter ratio = 14.0
Details
Open access

Dipotassium tetraaquabis([mu]-citrato-[kappa]4O:O',O'',O''')nickelate(II) tetrahydrate

aSchool of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangdong 528458, People's Republic of China
Correspondence e-mail: yaohg518@126.com

The title complex, K2[Ni2(C6H5O7)2(H2O)4]·4H2O, is a dinuclear centrosymmetric anionic octahedral complex, involving citrates as tridentate and bridging ligands, and coordinating water molecules. An extensive network of hydrogen bonds connects the complex anions through the two unique uncoordinating water molecules. The K+ counter cation is surrounded by seven O atoms in the form of an irregular polyhedron and further stabilizes the crystal packing.

Related literature

For applications of structures with metal-organic frameworks, see: Chui et al. (1999[Chui, S. S. Y., Lo, S. M. F., Charmant, J. P. H., Orpen, A. G. & Williams, I. D. (1999). Science, 283, 1148-1150.]); Kahn & Martinez (1998[Kahn, O. & Martinez, C. J. (1998). Science, 279, 44-46.]); Kiang et al. (1999[Kiang, Y.-H., Gardner, G. B., Lee, S., Xu, Z. & Lobkovsky, E. B. (1999). J. Am. Chem. Soc. 121, 8204-8206.]); Lin et al. (1999[Lin, W., Wang, Z. & Ma, L.-J. (1999). J. Am. Chem. Soc. 121, 11249-11251.]). For metal coordination polymers with a variety of topologies, see: Kondo et al. (2000[Kondo, M., Shimamura, M., Noro, S. I., Minakoshi, S., Asami, A., Seki, K. & Kitagawa, S. (2000). Chem. Mater. 12, 1288-1295.]); Shin et al. (2003[Shin, D.-M., Lee, I.-S., Lee, Y.-A. & Chung, Y.-K. (2003). Inorg. Chem. 42, 2977-2981.]); Wu et al. (2003[Wu, C.-D., Lu, C.-Z., Lin, X., Wu, D.-M., Lu, S.-F., Zhang, H.-H. & Huang, J.-S. (2003). Chem. Commun. pp. 1254-1255.]); Yao et al. (2007[Yao, H.-G., Ji, M., Ji, S.-H., Jiang, Y.-S., Li, L. & An, Y.-L. (2007). Inorg. Chem. Commun. 10, 440-442.]). For the nickel-citrate complex K2[Ni(C6H5O7)(H2O)2]2·4H2O, which crystallized in the triclinic space group P[\overline{1}], see: Baker et al. (1983[Baker, E. N., Baker, H. N., Anderson, B. F. & Reevs, R. D. (1983). Inorg. Chim. Acta, 78, 281-285.]).

[Scheme 1]

Experimental

Crystal data
  • K2[Ni2(C6H5O7)2(H2O)4]·4H2O

  • Mr = 717.94

  • Monoclinic, P 21 /c

  • a = 10.616 (2) Å

  • b = 13.006 (3) Å

  • c = 9.0513 (18) Å

  • [beta] = 93.09 (3)°

  • V = 1247.8 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.94 mm-1

  • T = 293 K

  • 0.30 × 0.20 × 0.15 mm

Data collection
  • Bruker SMART APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2001[Sheldrick, G. M. (2001). SADABS. University of Gottingen, Germany.]) Tmin = 0.636, Tmax = 0.741

  • 9515 measured reflections

  • 3128 independent reflections

  • 2916 reflections with I > 2[sigma](I)

  • Rint = 0.017

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

  • wR(F2) = 0.063

  • S = 1.02

  • 3128 reflections

  • 224 parameters

  • 2 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.43 e Å-3

  • [Delta][rho]min = -0.55 e Å-3

Table 1
Selected bond lengths (Å)

Ni1-O4 2.0322 (12)
Ni1-O2 2.0330 (11)
Ni1-O6 2.0345 (10)
Ni1-O2W 2.0677 (12)
Ni1-O1W 2.0709 (11)
Ni1-O3 2.0927 (10)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WB...O2i 0.79 (3) 1.96 (3) 2.7322 (16) 167 (2)
O2W-H2WB...O1ii 0.84 (3) 1.93 (3) 2.7638 (16) 170 (2)
O4W-H4WB...O5iii 0.85 (3) 1.91 (3) 2.7459 (17) 171 (2)
O2W-H2WA...O4Wiv 0.88 (3) 1.83 (3) 2.7064 (18) 174 (2)
O4W-H4WA...O5v 0.72 (3) 2.20 (2) 2.8714 (19) 155 (2)
O3-H1...O6vi 0.75 (2) 2.13 (2) 2.7152 (15) 135 (2)
O3W-H3WA...O2Wvii 0.85 (1) 2.25 (4) 2.912 (2) 135 (5)
Symmetry codes: (i) -x, -y+1, -z; (ii) [x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (iii) [-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) [-x, y-{\script{1\over 2}}, -z-{\script{1\over 2}}]; (v) [x-1, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (vi) -x+1, -y+1, -z; (vii) [-x, y+{\script{1\over 2}}, -z-{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2456 ).


References

Baker, E. N., Baker, H. N., Anderson, B. F. & Reevs, R. D. (1983). Inorg. Chim. Acta, 78, 281-285.  [CSD] [CrossRef] [ChemPort] [ISI]
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chui, S. S. Y., Lo, S. M. F., Charmant, J. P. H., Orpen, A. G. & Williams, I. D. (1999). Science, 283, 1148-1150.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Kahn, O. & Martinez, C. J. (1998). Science, 279, 44-46.  [ISI] [CrossRef] [ChemPort]
Kiang, Y.-H., Gardner, G. B., Lee, S., Xu, Z. & Lobkovsky, E. B. (1999). J. Am. Chem. Soc. 121, 8204-8206.  [ISI] [CSD] [CrossRef] [ChemPort]
Kondo, M., Shimamura, M., Noro, S. I., Minakoshi, S., Asami, A., Seki, K. & Kitagawa, S. (2000). Chem. Mater. 12, 1288-1295.  [ISI] [CSD] [CrossRef] [ChemPort]
Lin, W., Wang, Z. & Ma, L.-J. (1999). J. Am. Chem. Soc. 121, 11249-11251.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2001). SADABS. University of Gottingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Shin, D.-M., Lee, I.-S., Lee, Y.-A. & Chung, Y.-K. (2003). Inorg. Chem. 42, 2977-2981.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Wu, C.-D., Lu, C.-Z., Lin, X., Wu, D.-M., Lu, S.-F., Zhang, H.-H. & Huang, J.-S. (2003). Chem. Commun. pp. 1254-1255.
Yao, H.-G., Ji, M., Ji, S.-H., Jiang, Y.-S., Li, L. & An, Y.-L. (2007). Inorg. Chem. Commun. 10, 440-442.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m502-m503   [ doi:10.1107/S1600536813022630 ]

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