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Volume 69 
Part 1 
Pages m10-m11  
January 2013  

Received 22 September 2012
Accepted 25 November 2012
Online 5 December 2012

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.004 Å
R = 0.037
wR = 0.102
Data-to-parameter ratio = 10.5
Details
Open access

Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate

aCollege of Science, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China
Correspondence e-mail: myl9831@163.com

In the title complex, (C2H7N2)2[Mn(C14H6N2O4)2]·7H2O, the MnII atom is coordinated by four N atoms and four O atoms from two 1,10-phenanthroline-2,9-dicarboxylate ligands in a distorted dodecahedral geometry. The double negative charge is balanced by two ethanamidinium cations. A three-dimensional supramolecular structure is formed through N-H...O and O-H...O hydrogen bonds and [pi]-[pi] stacking interactions [centroid-centroid distance = 3.553 (2) Å].

Related literature

For general background to 1,10-phenanthroline derivatives, see: Kaes et al. (2000[Kaes, C., Katz, A. & Hosseini, M. W. (2000). Chem. Rev. 100, 3553-3590.]); Albores & Rentschler (2008[Albores, P. & Rentschler, E. (2008). Eur. J. Inorg. Chem. 25, 4004-4011.]); Sreerama & Pal (2004[Sreerama, S. G. & Pal, S. (2004). Eur. J. Inorg. Chem. pp. 4718-4723.]) and to 1,10-phenanthroline-2,9-dicarboxylate (H2phenda), see: Dean et al. (2008[Dean, N. E., Hancock, R. D., Cahill, C. L. & Frisch, M. (2008). Inorg. Chem. 47, 2000-2010.]); Gephart et al. (2008[Gephart, R. T. III, Williams, N. J., Reibenspies, J. H., De Sousa, A. S. & Hancock, R. D. (2008). Inorg. Chem. 47, 10342-10348.]); Moghimi et al. (2005[Moghimi, A., Alizadeh, R., Aghabozorg, H., Shockravi, A., Aragoni, M. C., Demartin, F., Isaia, F., Lippolis, V., Harrison, A., Shokrollahi, A. & Shamsipur, M. (2005). J. Mol. Struct. 750, 166-173.]); Fan et al. (2008[Fan, L. L., Li, C. J., Meng, Z. S. & Tong, M. L. (2008). Eur. J. Inorg. Chem. 25, 3905-3909.]). For the synthesis, see: Chandler et al. (1981[Chandler, C. J., Deady, L. W. & Reiss, J. A. (1981). J. Heterocycl. Chem. 18, 599-601.]).

[Scheme 1]

Experimental

Crystal data
  • (C2H7N2)2[Mn(C14H6N2O4)2]·7H2O

  • Mr = 831.66

  • Triclinic, [P \overline 1]

  • a = 9.6330 (6) Å

  • b = 13.8174 (7) Å

  • c = 15.4828 (8) Å

  • [alpha] = 66.151 (5)°

  • [beta] = 78.949 (5)°

  • [gamma] = 75.397 (5)°

  • V = 1814.56 (19) Å3

  • Z = 2

  • Cu K[alpha] radiation

  • [mu] = 3.69 mm-1

  • T = 150 K

  • 0.29 × 0.26 × 0.16 mm

Data collection
  • Agilent Gemini S Ultra CCD diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.395, Tmax = 0.554

  • 10581 measured reflections

  • 5310 independent reflections

  • 4336 reflections with I > 2[sigma](I)

  • Rint = 0.024

  • [theta]max = 60.0°

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.102

  • S = 0.95

  • 5310 reflections

  • 507 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.49 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N5-H5A...O1W 0.90 1.93 2.792 (4) 159
N5-H5B...O2 0.90 1.93 2.797 (3) 161
N6-H6A...O1W 0.90 2.19 2.938 (4) 140
N6-H6B...O7Wi 0.90 1.94 2.830 (3) 169
N7-H7A...O8 0.90 1.96 2.840 (3) 167
N7-H7B...O1ii 0.90 1.93 2.812 (3) 168
N8-H8A...O3W 0.90 2.05 2.941 (3) 172
N8-H8B...O2Wiii 0.90 1.98 2.871 (3) 173
O1W-H1WB...O6iv 0.85 1.93 2.780 (3) 178
O1W-H1WA...O2W 0.85 1.98 2.826 (3) 171
O2W-H2WA...O4v 0.85 1.92 2.709 (3) 154
O2W-H2WB...O3ii 0.85 1.90 2.753 (3) 177
O3W-H3WA...O8 0.85 1.87 2.687 (3) 161
O3W-H3WB...O2iii 0.85 1.94 2.741 (3) 156
O4W-H4WA...O3W 0.85 2.18 2.996 (3) 161
O4W-H4WB...O7 0.85 1.98 2.808 (3) 164
O5W-H5WA...O4W 0.85 1.99 2.828 (3) 168
O5W-H5WB...O6W 0.85 1.99 2.783 (3) 154
O6W-H6WA...O6vi 0.85 1.89 2.737 (3) 174
O6W-H6WB...O5Wvii 0.85 2.03 2.826 (4) 155
O7W-H7WA...O6W 0.85 1.96 2.760 (3) 157
O7W-H7WB...O5vi 0.85 2.02 2.865 (3) 173
Symmetry codes: (i) -x+2, -y-2, -z; (ii) -x+1, -y-1, -z-1; (iii) x-1, y, z; (iv) x, y-1, z; (v) x+1, y-1, z; (vi) -x+1, -y-1, -z; (vii) -x+1, -y-2, -z.

Data collection: CrysAlis CCD (Oxford Diffraction, 2006[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2006[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]); data reduction: CrysAlis RED; 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: FI2126 ).


Acknowledgements

The authors acknowledge Guang Dong Ocean University for supporting this work.

References

Albores, P. & Rentschler, E. (2008). Eur. J. Inorg. Chem. 25, 4004-4011.
Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Chandler, C. J., Deady, L. W. & Reiss, J. A. (1981). J. Heterocycl. Chem. 18, 599-601.  [CrossRef] [ChemPort]
Dean, N. E., Hancock, R. D., Cahill, C. L. & Frisch, M. (2008). Inorg. Chem. 47, 2000-2010.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Fan, L. L., Li, C. J., Meng, Z. S. & Tong, M. L. (2008). Eur. J. Inorg. Chem. 25, 3905-3909.  [ISI] [CSD] [CrossRef]
Gephart, R. T. III, Williams, N. J., Reibenspies, J. H., De Sousa, A. S. & Hancock, R. D. (2008). Inorg. Chem. 47, 10342-10348.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Kaes, C., Katz, A. & Hosseini, M. W. (2000). Chem. Rev. 100, 3553-3590.  [ISI] [CrossRef] [PubMed] [ChemPort]
Moghimi, A., Alizadeh, R., Aghabozorg, H., Shockravi, A., Aragoni, M. C., Demartin, F., Isaia, F., Lippolis, V., Harrison, A., Shokrollahi, A. & Shamsipur, M. (2005). J. Mol. Struct. 750, 166-173.  [ISI] [CSD] [CrossRef] [ChemPort]
Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sreerama, S. G. & Pal, S. (2004). Eur. J. Inorg. Chem. pp. 4718-4723.  [ISI] [CSD] [CrossRef]


Acta Cryst (2013). E69, m10-m11   [ doi:10.1107/S1600536812048350 ]

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