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

Miao, Y.-L.; Wang, H.-B.; Song, W.-D.

doi:10.1107/S1600536812048350

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 (C-C) = 0.004 Å
R = 0.037
wR = 0.102
Data-to-parameter ratio = 10.5
Details

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

Yan-Li Miao,^a ^* Hong-Bo Wang ^a and Wen-Dong Song ^a

^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 Mn^II 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-HO and O-HO 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); Albores & Rentschler (2008); Sreerama & Pal (2004) and to 1,10-phenanthroline-2,9-dicarboxylate (H₂phenda), see: Dean et al. (2008); Gephart et al. (2008); Moghimi et al. (2005); Fan et al. (2008). For the synthesis, see: Chandler et al. (1981).

Experimental

Crystal data

(C₂H₇N₂)₂[Mn(C₁₄H₆N₂O₄)₂]·7H₂O
M_r = 831.66
Triclinic, $[P \overline 1]$
a = 9.6330 (6) Å
b = 13.8174 (7) Å
c = 15.4828 (8) Å
= 66.151 (5)°
= 78.949 (5)°
= 75.397 (5)°
V = 1814.56 (19) Å³
Z = 2
Cu K radiation
= 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) T_min = 0.395, T_max = 0.554
10581 measured reflections
5310 independent reflections
4336 reflections with I > 2(I)
R_int = 0.024
_max = 60.0°

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.102
S = 0.95
5310 reflections
507 parameters
H-atom parameters constrained
_max = 0.49 e Å^-3
_min = -0.38 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N5-H5AO1W	0.90	1.93	2.792 (4)	159
N5-H5BO2	0.90	1.93	2.797 (3)	161
N6-H6AO1W	0.90	2.19	2.938 (4)	140
N6-H6BO7Wⁱ	0.90	1.94	2.830 (3)	169
N7-H7AO8	0.90	1.96	2.840 (3)	167
N7-H7BO1ⁱⁱ	0.90	1.93	2.812 (3)	168
N8-H8AO3W	0.90	2.05	2.941 (3)	172
N8-H8BO2Wⁱⁱⁱ	0.90	1.98	2.871 (3)	173
O1W-H1WBO6^iv	0.85	1.93	2.780 (3)	178
O1W-H1WAO2W	0.85	1.98	2.826 (3)	171
O2W-H2WAO4^v	0.85	1.92	2.709 (3)	154
O2W-H2WBO3ⁱⁱ	0.85	1.90	2.753 (3)	177
O3W-H3WAO8	0.85	1.87	2.687 (3)	161
O3W-H3WBO2ⁱⁱⁱ	0.85	1.94	2.741 (3)	156
O4W-H4WAO3W	0.85	2.18	2.996 (3)	161
O4W-H4WBO7	0.85	1.98	2.808 (3)	164
O5W-H5WAO4W	0.85	1.99	2.828 (3)	168
O5W-H5WBO6W	0.85	1.99	2.783 (3)	154
O6W-H6WAO6^vi	0.85	1.89	2.737 (3)	174
O6W-H6WBO5W^vii	0.85	2.03	2.826 (4)	155
O7W-H7WAO6W	0.85	1.96	2.760 (3)	157
O7W-H7WBO5^vi	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); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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

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Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sreerama, S. G. & Pal, S. (2004). Eur. J. Inorg. Chem. pp. 4718-4723.

metal-organic compounds