Bis(1,10-phenanthroline-κ2N,N′)(sulfato-κ2O,O′)nickel(II) propane-1,3-diol solvate

Ni, C.; Zhong, K.-L.; Cui, J.-D.

doi:10.1107/S1600536810020210

Volume 66
Part 7
Pages m746-m747
July 2010

Received 10 May 2010
Accepted 28 May 2010
Online 5 June 2010

Key indicators
Single-crystal X-ray study
T = 223 K
Mean (C-C) = 0.003 Å
R = 0.034
wR = 0.093
Data-to-parameter ratio = 16.1
Details

Bis(1,10-phenanthroline-²N,N')(sulfato-²O,O')nickel(II) propane-1,3-diol solvate

Chao Ni,^a ^* Kai-Long Zhong ^a and Jiang-Dong Cui ^a

^aDepartment of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China
Correspondence e-mail: nichao@njcc.edu.cn

In the structure of the title compound, [Ni(SO₄)(C₁₂H₈N₂)₂]·C₃H₈O₂, the Ni^II ion (site symmetry 2) is six-coordinated in a distorted octahedral manner by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and two O atoms from a bidentate sulfate ligand (2 symmetry). The dihedral angle between the two chelating NCCN groups is 80.9 (1)°. The central C atom of the propane-1,3-diol solvent molecule is likewise located on a twofold rotation axis. In the crystal structure, the [Ni(SO₄)(C₁₂H₈N₂)₂] and C₃H₈O₂ entities are connected through intermolecular O-HO hydrogen bonding.

Related literature

For the isotypic Zn and Co structures, see: Cui et al. (2010) and Zhong (2010), respectively. For the ethane-1,2-diol solvate of the title complex, see: Zhong et al. (2009). For background to coordination polymers constructed from N-containing ligands, see: Zhang et al. (1999); Blake et al. (2007); Wang et al. (2007).

Experimental

Crystal data

[Ni(SO₄)(C₁₂H₈N₂)₂]·C₃H₈O₂
M_r = 591.26
Monoclinic, C 2/c
a = 18.243 (4) Å
b = 12.440 (3) Å
c = 13.180 (3) Å
= 121.58 (3)°
V = 2548.2 (13) Å³
Z = 4
Mo K radiation
= 0.90 mm^-1
T = 223 K
0.55 × 0.50 × 0.40 mm

Data collection

Rigaku Mercury CCD diffractometer
Absorption correction: multi-scan (REQAB: Jacobson, 1998) T_min = 0.750, T_max = 1.000
7078 measured reflections
2877 independent reflections
2630 reflections with I > 2(I)
R_int = 0.017

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.093
S = 1.05
2877 reflections
179 parameters
H-atom parameters constrained
_max = 0.79 e Å^-3
_min = -0.42 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Ni1-N2	2.0775 (16)
Ni1-N1	2.0802 (16)
Ni1-O1	2.1127 (14)
S1-O2	1.4559 (14)
S1-O1	1.4950 (14)

N2-Ni1-N1	80.05 (6)
O1ⁱ-Ni1-O1	67.73 (7)
Symmetry code: (i) $[-x+1, y, -z+{\script{1\over 2}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3O2	0.82	1.92	2.743 (2)	179

Data collection: CrystalClear (Rigaku, 2007); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in 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: WM2347 ).

Acknowledgements

This work was supported by the Scientific Research Foundation of Nanjing College of Chemical Technology (grant No. NHKY-2010-17) and Undergraduate Scientific and Technological Innovation Project of Nanjing College of Chemical Technology (2009).

References

Blake, A. J., Lippolis, V., Pivetta, T. & Verani, G. (2007). Acta Cryst. C63, m364-m367.
Cui, J.-D., Zhong, K.-L. & Liu, Y.-Y. (2010). Acta Cryst. E66, m564.
Jacobson, R. (1998). REQAB. Private communication to the Rigaku Corporation, Tokyo, Japan.
Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, H.-Y., Gao, S., Huo, L.-H. & Zhao, J.-G. (2007). Acta Cryst. E63, m7-m8.
Zhang, Y.-S., Enright, G. D., Breeze, S. R. & Wang, S. (1999). New J. Chem. 23, 625-628.
Zhong, K.-L. (2010). Acta Cryst. E66, m247.
Zhong, K.-L., Ni, C. & Wang, J.-M. (2009). Acta Cryst. E65, m911.

metal-organic compounds

Bis(1,10-phenanthroline-2N,N')(sulfato-2O,O')nickel(II) propane-1,3-diol solvate