Bis(2,6-dihy­droxy­benzoato-κ2O1,O1′)(nitrato-κ2O,O′)bis­(1,10-phenanthroline-κ2N,N′)praseodymium(III)

Wang, C.; Gu, X.; Wang, X.; Jin, H.

doi:10.1107/S1600536810049767

Volume 67
Part 1
Page m5
January 2011

Received 11 November 2010
Accepted 29 November 2010
Online 4 December 2010

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R = 0.035
wR = 0.075
Data-to-parameter ratio = 14.0
Details

Bis(2,6-dihydroxybenzoato-²O¹,O^1')(nitrato-²O,O')bis(1,10-phenanthroline-²N,N')praseodymium(III)

Chiya Wang,^a Xiaojin Gu,^a Xinqing Wang ^a and Hongxiao Jin ^a ^*

^aCollege of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China
Correspondence e-mail: jin_hongxiao@yahoo.com.cn

The mononuclear title complex, [Pr(C₇H₅O₃)₂(NO₃)(C₁₂H₈N₂)₂], is isostructural with related complexes of other lanthanides. The Pr(III) atom is in a pseudo-bicapped square-antiprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and six O atoms, four from two 2,6-dihydroxybenzoate (DHB) ligands and the other two from nitrate anions. [pi] - [pi] stacking interactions between the phen and DHB ligands [centroid-centroid distances = 3.518 (2) and 3.778 (2) Å] and the phen and phen ligands [face-to-face separation = 3.427 (6) Å] of adjacent complexes stabilize the crystal structure. Intramolecular O-HO hydrogen bonds are observed in the DHB ligands.

Related literature

For the background and a related structure, see: Zheng et al. (2010).

Experimental

Crystal data

[Pr(C₇H₅O₃)₂(NO₃)(C₁₂H₈N₂)₂]
M_r = 869.55
Monoclinic, P 2₁ /c
a = 11.2738 (2) Å
b = 26.8015 (5) Å
c = 14.3886 (4) Å
= 127.934 (1)°
V = 3429.02 (13) Å³
Z = 4
Mo K radiation
= 1.49 mm^-1
T = 298 K
0.50 × 0.42 × 0.40 mm

Data collection

Oxford Diffraction Gemini S Ultra diffractometer
Absorption correction: multi-scan (ABSPACK in CrysAlis PRO RED; Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis PRO CCD and CrysAlis PRO RED. Oxford Diffraction Ltd, Abingdon, England.]$ ) T_min = 0.522, T_max = 0.586
28864 measured reflections
6985 independent reflections
6611 reflections with I > 2(I)
R_int = 0.023

Refinement

R[F² > 2(F²)] = 0.035
wR(F²) = 0.075
S = 1.23
6985 reflections
500 parameters
H-atom parameters constrained
_max = 0.66 e Å^-3
_min = -1.21 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O8-H38O6	0.82	1.83	2.561 (4)	148
O7-H33O5	0.82	1.87	2.592 (3)	147
O4-H31O2	0.82	1.86	2.586 (4)	147
O3-H27O1	0.82	1.85	2.577 (4)	147

Data collection: CrysAlis PRO CCD (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis PRO CCD and CrysAlis PRO RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); cell refinement: CrysAlis PRO CCD; data reduction: CrysAlis PRO RED (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis PRO CCD and CrysAlis PRO RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FJ2366 ).

Acknowledgements

The authors are grateful for financial support from the Natural Science Foundation of Zhejiang Province (project No. 2010 Y4100495).

References

Brandenburg, K. & Berndt, M. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Oxford Diffraction (2006). CrysAlis PRO CCD and CrysAlis PRO RED. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zheng, J., Jin, H. & Ge, H. (2010). Acta Cryst. E66, m1469-m1470.

metal-organic compounds

Bis(2,6-dihydroxybenzoato-2O1,O1')(nitrato-2O,O')bis(1,10-phenanthroline-2N,N')praseodymium(III)