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Volume 66 
Part 11 
Pages m1446-m1447  
November 2010  

Received 9 August 2010
Accepted 17 October 2010
Online 23 October 2010

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.048
wR = 0.147
Data-to-parameter ratio = 16.7
Details
Open access

Diaquabis(1,10-phenanthroline-[kappa]2N,N')manganese(II) sulfate hexahydrate

Chun Zhanga and Hong-lin Zhua*

aState Key Laboratory Base of Novel Functional Materials and Preparation Science, Center of Applied Solid State Chemistry Research, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China
Correspondence e-mail: zhuhonglin1@nbu.edu.cn

In the title compound, [Mn(C12H8N2)2(H2O)2]SO4·6H2O, the complex cations assemble into positively charged sheets parallel to (010) via intermolecular [pi]-[pi] stacking interactions with a mean interplanar distance of 3.410 (6) along [100] and 3.465 (5) Å along [001]. The sulfate anions and uncoordinated water molecules are interconnected between these layers by hydrogen bonds, forming negatively charged layers which are linked to the positive layers through O-H...O hydrogen bonds, forming a three-dimensional architecture. Both the positive and negative sheets are stacked along [010] in an ...ABAB... sequence, the A layers being shifted by 1/2a along [100] with respect to the B layers. One of the uncoordinated water molecules is equally disordered over two positions.

Related literature

For general background, see: Sangeetha & Maitra (2005[Sangeetha, N. M. & Maitra, U. (2005). Chem. Soc. Rev. 34, 821-836.]); Lehn (2007[Lehn, J. M. (2007). Chem. Soc. Rev. 36, 151-160.]); Stang & Olenyuk (1997[Stang, P. J. & Olenyuk, B. (1997). Acc. Chem. Res. 30, 502-518.]). For related structures, see: Devereux et al. (2000[Devereux, M., McCann, M., Leon, V., Geraghty, M., McKee, V. & Wikaira, J. (2000). Polyhedron, 19, 1205-1211.]); Zheng et al. (2003[Zheng, Y. Q., Lin, J. L. & Chen, B. Y. (2003). J. Mol. Struct. 646, 51-159.]); Zhang et al. (2003[Zhang, X. F., Huand, D. G., Chen, F., Chen, C. N. & Liu, Q. T. (2003). Chin. J. Struct. Chem. 22, 525-528.], 2005[Zhang, L.-P., Zhu, L.-G. & Cai, G.-Q. (2005). Acta Cryst. E61, m2634-m2636.]).

[Scheme 1]

Experimental

Crystal data

  • [Mn(C12H8N2)2(H2O)2]SO4·6H2O

  • Mr = 655.54

  • Triclinic, [P \overline 1]

  • a = 10.153 (2) Å

  • b = 12.086 (2) Å

  • c = 13.309 (3) Å

  • [alpha] = 109.55 (3)°

  • [beta] = 91.79 (3)°

  • [gamma] = 110.56 (3)°

  • V = 1420.2 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.61 mm-1

  • T = 293 K

  • 0.29 × 0.24 × 0.19 mm
Data collection

  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.680, Tmax = 0.843

  • 13888 measured reflections

  • 6388 independent reflections

  • 5780 reflections with I > 2[sigma](I)

  • Rint = 0.022
Refinement

  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.147

  • S = 1.19

  • 6388 reflections

  • 382 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.56 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1B...O5 0.86 1.82 2.670 (4) 174
O1-H1C...O7 0.86 1.99 2.843 (3) 178
O2-H2B...O3 0.85 1.83 2.656 (3) 164
O2-H2C...O3i 0.86 1.84 2.684 (3) 168
O7-H7A...O8ii 0.86 2.00 2.856 (3) 176
O7-H7B...O10ii 0.86 1.98 2.799 (4) 160
O8-H8B...O6 0.86 2.01 2.842 (4) 165
O8-H8C...O11iii 0.86 1.93 2.778 (4) 171
O9-H9B...O5 0.85 1.85 2.704 (4) 174
O9-H9C...O12A 0.86 1.98 2.617 (7) 131
O10-H10B...O9iv 0.85 2.04 2.836 (5) 157
O10-H10C...O9ii 0.86 2.02 2.875 (5) 172
O11-H11A...O12Bv 0.77 1.93 2.691 (7) 166
O11-H11B...O6 0.85 1.98 2.813 (4) 167
O12A-H12A...O4 1.15 1.87 2.827 (6) 138
O12B-H12B...O4v 0.86 2.01 2.851 (6) 164
Symmetry codes: (i) -x+1, -y, -z; (ii) -x+2, -y+1, -z+1; (iii) -x+2, -y+1, -z; (iv) x+1, y, z; (v) -x+1, -y+1, -z.

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004[Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.]); 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: ORTEPII (Johnson, 1976[Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GW2091 ).

Acknowledgements

This project was supported by the National Natural Science Foundation of China (grant No. 20072022), the Expert Project of Key Basic Research of the Ministry of Science and Technology of China (grant No. 2003CCA00800), the Scince and Technology Department of Zhejiang Province (grant No. 2006 C21105), the Scientific Research Fund of Ningbo University (grant No. XYL09078) and the Education Department of Zhejiang Province. Grateful thanks are also extended to the K. C. Wong Magna Fund in Ningbo University.

References

Devereux, M., McCann, M., Leon, V., Geraghty, M., McKee, V. & Wikaira, J. (2000). Polyhedron, 19, 1205-1211.  [ISI] [CSD] [CrossRef] [ChemPort]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
Lehn, J. M. (2007). Chem. Soc. Rev. 36, 151-160.  [ISI] [CrossRef] [PubMed] [ChemPort]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
Sangeetha, N. M. & Maitra, U. (2005). Chem. Soc. Rev. 34, 821-836.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stang, P. J. & Olenyuk, B. (1997). Acc. Chem. Res. 30, 502-518.  [ISI] [CrossRef] [ChemPort]
Zhang, X. F., Huand, D. G., Chen, F., Chen, C. N. & Liu, Q. T. (2003). Chin. J. Struct. Chem. 22, 525-528.  [ChemPort]
Zhang, L.-P., Zhu, L.-G. & Cai, G.-Q. (2005). Acta Cryst. E61, m2634-m2636.  [CSD] [CrossRef] [details]
Zheng, Y. Q., Lin, J. L. & Chen, B. Y. (2003). J. Mol. Struct. 646, 51-159.  [ISI] [CSD] [CrossRef]

Acta Cryst (2010). E66, m1446-m1447   [ doi:10.1107/S160053681004211X ]

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