4-(4-Pyrid­yl)pyridinium penta­aqua(pyridazine-4,5-dicarboxyl­ato)praseodymate(III)

Zhang, Z.-Q.; Xue, X.-D.; Yao, B.-X.; Ji, X.; Jiang, H.-J.

doi:10.1107/S1600536810033477

Volume 66
Part 10
Page m1288
October 2010

Received 9 August 2010
Accepted 19 August 2010
Online 25 September 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.023
wR = 0.052
Data-to-parameter ratio = 10.9
Details

4-(4-Pyridyl)pyridinium pentaaqua(pyridazine-4,5-dicarboxylato)praseodymate(III)

Zhen-Qin Zhang,^a Xiao-Dong Xue,^b Bi-Xia Yao,^a Xing Ji ^a and Hui-Jun Jiang ^a ^*

^aSchool of Pharmacy, Nanjing Medical University, Nanjing, People's Republic of China, and ^bThe Scientific and Technological Information Research Department of Jiangsu, Nanjing, People's Republic of China
Correspondence e-mail: huijun_jiang@263.net

In the title complex, (C₁₀H₉N₂)[Pr(C₆H₂N₂O₄)₂(H₂O)₅], the Pr atom is nine-coordinated by nine O atoms from two pyridazine-4,5-dicarboxylate anions and five water molecules. It is noteworthy that there is a protonated bipyridine molecule in the structure. Intermolecular O-HO, O-HN and N-HN hydrogen bonds are present, resulting in a three-dimensional network.

Related literature

For general background to metal carboxylate coordination compounds, see: Escuer et al. (1997). For pyridazine dicarboxylic metal complexes, see: Gryz et al. (2006). For bond-length data, see: Allen et al. (1987).

Experimental

Crystal data

(C₁₀H₉N₂)[Pr(C₆H₂N₂O₄)₂(H₂O)₅]
M_r = 720.37
Orthorhombic, P 2₁ 2₁ 2
a = 11.2726 (17) Å
b = 12.0023 (18) Å
c = 9.5266 (14) Å
V = 1288.9 (3) Å³
Z = 2
Mo K radiation
= 1.97 mm^-1
T = 293 K
0.40 × 0.30 × 0.22 mm

Data collection

Rigaku Mercury diffractometer
Absorption correction: multi-scan (REQAB; Jacobson, 1998) T_min = 0.454, T_max = 0.649
12497 measured reflections
2358 independent reflections
2280 reflections with I > 2(I)
R_int = 0.030

Refinement

R[F² > 2(F²)] = 0.023
wR(F²) = 0.052
S = 1.09
2358 reflections
216 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 1.25 e Å^-3
_min = -0.43 e Å^-3
Absolute structure: Flack (1983), 981 Friedel pairs
Flack parameter: -0.014 (18)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O7-H7AO4ⁱ	0.82 (4)	1.85 (4)	2.662 (3)	171 (5)
O6-H6BO3ⁱ	0.82 (5)	1.93 (5)	2.749 (4)	178 (7)
O6-H6AN1ⁱⁱ	0.82 (7)	2.07 (6)	2.881 (5)	172 (8)
O5-H5BN2ⁱⁱⁱ	0.82 (3)	2.14 (4)	2.953 (4)	172 (6)
O5-H5AO3	0.82 (4)	2.00 (4)	2.809 (4)	173 (5)
N3-H3AN4^iv	0.91 (1)	1.65 (1)	2.555 (6)	180
Symmetry codes: (i) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+2]$ ; (ii) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+1]$ ; (iii) x, y, z+1; (iv) x, y, z-1.

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: CrystalStructure.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2230 ).

Acknowledgements

Financial support from the Science Foundation of Nangjing Medical University (Reference: 8651) is gratefully acknowledged.

References

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.
Burnett, M. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
Escuer, A., Vicente, R., Mernari, B., Gueddi, A. & Pierrot, M. (1997). Inorg. Chem. 36, 2511-2516.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Gryz, M., Starosta, W. & Leciejewicz, J. (2006). Acta Cryst. E62, m3470-m3472.
Jacobson, R. (1998). REQAB. Private communication to the Rigaku Corporation, Tokyo, Japan.
Rigaku (1999). CrystalClear and CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds