Bis(6′-carb­oxy-2,2′-bipyridine-6-carboxyl­ato-κ3N,N′,O6)nickel(II) tetra­hydrate

Wang, H.; Su, H.; Xu, J.; Bai, F.; Gao, Y.

doi:10.1107/S1600536809006515

Volume 65
Part 3
Pages m352-m353
March 2009

Received 17 January 2009
Accepted 23 February 2009
Online 28 February 2009

Key indicators
Single-crystal X-ray study
T = 113 K
Mean (C-C) = 0.008 Å
R = 0.068
wR = 0.211
Data-to-parameter ratio = 11.6
Details

Bis(6'-carboxy-2,2'-bipyridine-6-carboxylato-³N,N',O⁶)nickel(II) tetrahydrate

Huimin Wang,^a Haiquan Su,^a ^* Jinjin Xu,^a Fenghua Bai ^a and Ya Gao ^a

^aSchool of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021, People's Republic of China
Correspondence e-mail: haiquansu@yahoo.com

In the title compound, [Ni(C₁₂H₇N₂O₄)₂]·4H₂O, the Ni atom is located at the centre of a distorted octahedron, formed by four N atoms and two O atoms from the same two tridentating chelated 6-carboxy-2,2'-bipyridine-6'-carboxylate (L) ligands. Face-to-face [pi] -stacking interactions between inversion-related pyridine rings with centroid-centroid distances of 3.548 (3) and 3.662 (3) Å (perpendicular distances between the respective rings are 3.314 and 3.438 Å) are found. Intermolecular O-HO hydrogen bonds between water molecules and L ligands form R₅³(10), R₆⁵(14) and R₅⁵(12) rings and also a centrosymmetric cage-like unit of water molecules, which link eight adjacent Ni^II centers, forming a three-dimensional framework.

Related literature

For hydrogen-bonding motifs, see: Bernstein et al. (1995). For the structural and photophysical properties of Ln^III complexes with the title ligand, see: Bünzli et al. (2000). For a catena-poly diaqua Cd^II complex with the title ligand, see: Knight et al. (2006). For an explanation of `ligand star', see: Gao et al. (2006). For the structural characterization and fluorescent properties of Ln^III complexes with pyridine-2,6-dicarboxylic acid, see: Liu et al. (2008). For the structural and photophysical properties of Eu^III complexes with 2,2'-dipyridine-4, 4'-dicarboxylic acid, see: Law et al. (2007). For the structural properties of a metal-organic framework (MOF) based on Pt, Y and 2,2'-bipyridine-5,5'-dicarboxylate, see: Szeto et al. (2006). For a review of the properties of coordination polymer networks via O- and N-atoms, see: Robin & Fromm (2006).

Experimental

Crystal data

[Ni(C₁₂H₇N₂O₄)₂]·4H₂O
M_r = 617.17
Triclinic, $[P \overline 1]$
a = 9.990 (2) Å
b = 10.896 (2) Å
c = 12.565 (3) Å
= 112.97 (3)°
= 100.09 (3)°
= 90.30 (3)°
V = 1235.7 (4) Å³
Z = 2
Mo K radiation
= 0.86 mm^-1
T = 113 K
0.20 × 0.10 × 0.08 mm

Data collection

Rigaku Saturn CCD area-detector diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005) T_min = 0.846, T_max = 0.934
7165 measured reflections
4305 independent reflections
2745 reflections with I > 2(I)
R_int = 0.126

Refinement

R[F² > 2(F²)] = 0.068
wR(F²) = 0.211
S = 1.05
4305 reflections
372 parameters
H-atom parameters constrained
_max = 0.96 e Å^-3
_min = -0.75 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Ni1-N1	1.975 (4)
Ni1-N3	1.987 (4)
Ni1-O1	2.104 (4)
Ni1-O5	2.136 (4)
Ni1-N2	2.161 (5)
Ni1-N4	2.197 (4)

N3-Ni1-N2	111.50 (16)
N1-Ni1-N4	103.32 (16)
N3-Ni1-N4	78.03 (17)
O5-Ni1-N4	156.02 (15)

N1-C6-C7-N2	-3.5 (6)
N3-C18-C19-N4	-0.1 (7)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O12-H12BO6ⁱ	0.83	2.02	2.783 (6)	153
O12-H12AO2	0.83	1.94	2.755 (5)	165
O11-H11BO12ⁱⁱ	0.83	1.84	2.662 (5)	172
O11-H11AO9ⁱⁱⁱ	0.83	1.99	2.821 (6)	177
O10-H10BO5ⁱⁱ	0.83	2.22	2.953 (5)	148
O10-H10AO2	0.83	2.05	2.822 (6)	155
O9-H9BO6ⁱⁱⁱ	0.83	1.89	2.694 (5)	162
O9-H9AO10^iv	0.83	1.90	2.714 (5)	167
O7-H7O11^v	0.84	1.69	2.513 (5)	166
O3-H3O9	0.84	1.79	2.614 (5)	166
Symmetry codes: (i) x, y+1, z; (ii) -x, -y+1, -z+1; (iii) -x+1, -y, -z+1; (iv) -x+1, -y+1, -z+1; (v) x, y, z-1.

Data collection: CrystalClear (Rigaku/MSC, 2005); 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: DIAMOND (Brandenburg & Putz, 2006) and Mercury (Macrae et al., 2006); software used to prepare material for publication: publCIF (Westrip, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2152 ).

Acknowledgements

This work was supported by the Program for New Century Excellent Talents in Universities (NCET-04-0261) and the Scientific Research Foundation for Returned Overseas Chinese Scholars, State Education Ministry.

References

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