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

Yong-Jie Ding; Chun-Xiang Zhao

doi:10.1107/S1600536810000401

. 2010 Jan 9;66(Pt 2):m132–m133. doi: 10.1107/S1600536810000401

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

Yong-Jie Ding ^a, Chun-Xiang Zhao ^b,^*

PMCID: PMC2979819 PMID: 21579616

Abstract

In the heteronuclear coordination polymer, {[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O}_n, the Cu^II atom is coordinated by six O atoms from five water molecules and one 5-nitrobenzene-1,2,3-tricarboxylate ligand in a slightly distorted octahedral geometry. The Na⁺ cation is surrounded by six water molecules in an irregular trigonal-prismatic geometry. The Cu and Na atoms are connected by water bridges, forming an infinite chain. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules connect the chains into a three-dimensional network.

Related literature

For general background to the possible applications of metal coordination polymers as microporous hosts for absorption or as catalytic materials, see: Cheng et al. (2004 ▶); Yaghi & Li (1995 ▶).

Experimental

Crystal data

[CuNa(C₉H₂NO₈)(H₂O)₇]·4H₂O
M _r = 536.82
Triclinic,
a = 6.6480 (13) Å
b = 13.124 (3) Å
c = 13.531 (3) Å
α = 63.46 (3)°
β = 79.17 (4)°
γ = 82.13 (3)°
V = 1035.5 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.17 mm⁻¹
T = 295 K
0.27 × 0.26 × 0.21 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2005 ▶) T _min = 0.743, T _max = 0.791
5466 measured reflections
3696 independent reflections
3113 reflections with I > 2σ(I)
R _int = 0.021

Refinement

R[F ² > 2σ(F ²)] = 0.047
wR(F ²) = 0.133
S = 1.02
3696 reflections
280 parameters
H-atom parameters constrained
Δρ_max = 0.76 e Å⁻³
Δρ_min = −0.76 e Å⁻³

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810000401/ng2712sup1.cif

e-66-0m132-sup1.cif^{(21.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810000401/ng2712Isup2.hkl

e-66-0m132-Isup2.hkl^{(181.2KB, 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
O1W—H2W⋯O4ⁱ	0.84	2.06	2.883 (4)	166
O1W—H1W⋯O5ⁱⁱ	0.84	2.19	2.932 (4)	148
O2W—H4W⋯O3	0.84	1.94	2.706 (4)	151
O2W—H3W⋯O6Wⁱⁱⁱ	0.84	1.91	2.741 (4)	169
O3W—H6W⋯O4Wⁱ	0.84	2.09	2.863 (4)	153
O3W—H5W⋯O4	0.84	2.01	2.825 (4)	164
O4W—H8W⋯O3W^iv	0.84	2.11	2.868 (4)	149
O4W—H7W⋯O3^v	0.84	2.12	2.902 (4)	155
O5W—H10W⋯O1ⁱⁱⁱ	0.84	2.60	3.174 (4)	127
O5W—H10W⋯O5	0.84	2.05	2.778 (4)	145
O5W—H9W⋯O6^vi	0.84	1.89	2.711 (3)	166
O6W—H12W⋯O5W	0.84	2.00	2.810 (4)	161
O6W—H11W⋯O7^vi	0.84	1.91	2.716 (4)	160
O7W—H14W⋯O2W^v	0.84	1.98	2.788 (4)	160
O7W—H13W⋯O7	0.84	1.87	2.657 (4)	156
O8W—H16W⋯O2W^v	0.84	1.85	2.679 (4)	171
O8W—H15W⋯O6W	0.84	1.95	2.774 (4)	167
O9W—H18W⋯O5ⁱ	0.84	1.82	2.647 (4)	168
O9W—H17W⋯O6	0.84	1.99	2.823 (3)	175
O10W—H19W⋯O5W	0.84	1.85	2.674 (4)	166
O10W—H20W⋯O6ⁱ	0.84	1.88	2.704 (3)	167
O11W—H22W⋯O3W^v	0.84	1.85	2.670 (4)	165
O11W—H21W⋯O4ⁱ	0.84	1.98	2.776 (4)	158

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

Acknowledgments

The authors gratefully acknowledge financial support by the Scientific Research Innovation Foundation for youth teachers of Zhoukou Normal University.

supplementary crystallographic information

Comment

Recently, there has been much interest in the synthesis of metal coordination polymers, due to their possible application as microporous hosts for absorption or even as catalytic materials (Yaghi et al., 1995; Cheng et al.,2004). Herein, we report a new heteronuclear metal coordination polymer with the tricarboxylates, 5-Nitrobenzene-1,2,3-tricarboxylicacid (NBA) as the ligand, the copper (II) and sodium (I) as the metal ions.

As can be seen from the crystal structure in Fig.1, Cu and Na are connected via µ-O, O' coordination of water molecules, which structure is repeating unit along a axis, forming one-dimensional infinite chains, which chains along the a axis is built up through coordination between NBA, a part of water molecules and Cu(II), Na(I) (Fig.2). Through the forming of hydrogen bonds between chains and water molecules of the interchain, three-dimensional supermolecular structure is formed. The different chains are linked by an extensive hydrogen-bonding network (Table 1, Fig.3), through oxygen atoms of carboxylate and water molecule. Each of the water molecules has at least one hydrogen-bonding interaction, this leads to the formation of a stable three dimensional supramolecular structure.

Experimental

5-Nitrobenzene-1,2,3-tricarboxylic acid (0.051 g, 0.2 mmol) was added to a solution of copper chloride (0.027 g, 0.2 mmol) (20 mL), the resulting mixture was treated with a solution of NaOH until the pH value come rise to be about 8.The mixture was then stirred continuously for 6 h, and the filtrate was kept in conical flask for about 30 days and blue block crystals were obtained from the solution, dried in vacuum. Yield: 67.6%. Crystal of the title compound suitable for single-crystal X-ray diffraction was selected directly from the sample as prepared.