catena-Poly[[[aqua­(5-nitro­benzene-1,2,3-tricarboxyl­ato-κO 1)nickel(II)]-di-μ-aqua-[diaqua­sodium]-di-μ-aqua] tetra­hydrate]

Zheng-De Tan; Bing Yi

doi:10.1107/S1600536810006872

. 2010 Feb 27;66(Pt 3):m342. doi: 10.1107/S1600536810006872

catena-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato-κO ¹)nickel(II)]-di-μ-aqua-[diaquasodium]-di-μ-aqua] tetrahydrate]

Zheng-De Tan ^a,^*, Bing Yi ^a

PMCID: PMC2983560 PMID: 21580274

Abstract

In the title complex, {[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O}_n, the Ni^II atom has a distorted octahedral coordination, defined by five O atoms from five water molecules and one O atom from one 5-nitrobenzene-1,2,3-tricarboxylate ligand. The Na cation is coordinated by six water O atoms in an irregular trigonal-prismatic geometry. There are seven coordinated water molecules in the asymmetic unit. The Ni and Na atoms are linked by water bridges, forming infinite chains, which are connected by strong O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules into a three-dimensional network.

Related literature

For related structures, see: Ding & Zhao (2010 ▶); Li et al. (2006 ▶).

Experimental

Crystal data

[NaNi(C₉H₂NO₈)(H₂O)₇]·4H₂O
M _r = 531.99
Triclinic,
a = 6.7005 (6) Å
b = 13.161 (4) Å
c = 13.586 (4) Å
α = 63.415 (6)°
β = 79.076 (6)°
γ = 81.857 (6)°
V = 1049.8 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.04 mm⁻¹
T = 296 K
0.32 × 0.30 × 0.21 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2005 ▶) T _min = 0.733, T _max = 0.812
5287 measured reflections
3702 independent reflections
3115 reflections with I > 2σ(I)
R _int = 0.025

Refinement

R[F ² > 2σ(F ²)] = 0.052
wR(F ²) = 0.172
S = 0.82
3702 reflections
280 parameters
33 restraints
H-atom parameters constrained
Δρ_max = 0.85 e Å⁻³
Δρ_min = −1.02 e Å⁻³

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAINT; 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 Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810006872/si2240sup1.cif

e-66-0m342-sup1.cif^{(22.6KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810006872/si2240Isup2.hkl

e-66-0m342-Isup2.hkl^{(181.5KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O8W—H16W⋯O6Wⁱ	0.84	2.07	2.876 (4)	161
O8W—H15W⋯O2ⁱⁱ	0.84	2.06	2.835 (4)	153
O7W—H13W⋯O10Wⁱⁱⁱ	0.84	1.93	2.748 (4)	163
O7W—H14W⋯O1ⁱⁱ	0.84	1.90	2.731 (4)	172
O10W—H20W⋯O6	0.84	1.92	2.735 (5)	165
O10W—H19W⋯O9W	0.84	2.01	2.813 (4)	160
O9W—H18W⋯O3^iv	0.84	1.99	2.802 (4)	161
O9W—H17W⋯O4	0.84	1.89	2.734 (4)	176
O11W—H22W⋯O7W	0.84	1.85	2.676 (4)	168
O11W—H21W⋯O10W^v	0.84	1.95	2.784 (4)	173
O1W—H2W⋯O4^vi	0.84	1.89	2.721 (3)	172
O1W—H1W⋯O9W^v	0.84	1.86	2.685 (4)	168
O3W—H6W⋯O8W	0.84	1.85	2.660 (4)	162
O3W—H5W⋯O2^vi	0.84	1.97	2.783 (4)	162
O2W—H4W⋯O3^vi	0.84	1.83	2.657 (3)	170
O2W—H3W⋯O4	0.84	2.00	2.826 (4)	168
O4W—H7W⋯O6	0.84	1.84	2.655 (4)	163
O4W—H8W⋯O7W	0.84	2.02	2.801 (4)	154
O6W—H11W⋯O8W	0.84	2.09	2.900 (5)	161
O6W—H12W⋯O1^vii	0.84	2.11	2.919 (4)	160
O5W—H9W⋯O3^vi	0.84	2.25	2.935 (4)	139
O5W—H10W⋯O2^viii	0.84	2.18	2.913 (5)	145

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) .

Acknowledgments

The authors acknowledge the Scientific Research Project of Hunan Department of Education (No. 09c259) for support of this work.

supplementary crystallographic information

Comment

It is well-known that carboxylate ligands play an important role in coordination chemistry. They usually adopt diverse binding modes as terminal monodentate, chelating to one metal center, bridging to two metal centers (Ding et al., 2010; Li et al., 2006). In the present paper, we synthesized a novel green complex {[NiNa(C₉H₂NO₈)(H₂O)₇].4(H₂O)}_n based on 5-nitrobenzene-1,2,3-tricarboxylate ligand. It is isostructural to the copper compound reported by Ding & Zhao, (2010).

The coordination geometries of Ni and Na centers are very close to the values observed in the {[CuNa(C₉H₂NO₈)(H₂O)₇].4(H₂O)}_n compound, and also the hydrogen bonds in both structures are very similar (Fig.1). The Ni and Na atoms are linked by water bridges, forming an infinite chain (Fig.2). They are arrayed by turns with the distance of 3.4258 (21)Å and 3.7373 (20)Å between Ni and Na. The chains are connected by strong O—H···O hydrogen bonds involving the coordinated and uncoordinated water molecules into a three-dimensional network (Table 1). In the {[CuNa(C₉H₂NO₈)(H₂O)₇].4(H₂O)}_n compound, the six Cu—O bond lengths range between 2.028 (2) and 2.098 (3) Å. It is a rare case that all Cu—O distances are above 2.00 Å, which may be explained by the influence of the Na—O—Cu bridges. But in the title compound, the Ni—O bond lengths range between 2.032 (2) and 2.106 (3) Å and represent normal values.

Experimental

A mixture of 5-nitrobenzene-1,2,3-tricarboxylate ligand (0.1 mmol), Ni(NO₃)₂ (0.1 mmol) and H₂O (20 ml) was treated with a solution of NaOH until the pH about 7-8. and left to stand at room temperature for about a few weeks,then the green crystals were obtained.