Poly[μ2-aqua-aqua-μ5-naphthalene-2,7-disulfonato-strontium]

Shan Gao; Seik Weng Ng

doi:10.1107/S1600536811047313

. 2011 Nov 19;67(Pt 12):m1787. doi: 10.1107/S1600536811047313

Poly[μ₂-aqua-aqua-μ₅-naphthalene-2,7-disulfonato-strontium]

Shan Gao ^a, Seik Weng Ng ^b,^c,^*

PMCID: PMC3238698 PMID: 22199575

Abstract

In the crystal structure of the polymeric title compound, [Sr(C₁₀H₆O₆S₂)(H₂O)₂]_n, the naphthalene-2,7-disulfonate dianion uses one –SO₃ unit to bind to two Sr^II cations and the other –SO₃ unit to bind to three Sr^II cations; of the two coordinated water molecules, one is monodentate to one Sr^II cation, whereas the other bridges two Sr^II cations. The μ₅-bridging mode of the dianon and the μ₂-bridging mode of the water molecule generate a polymeric three-dimensional network which is consolidated by O—H⋯O hydrogen bonds. The Sr^II cation exists in an undefined eight-coordinate environment.

Related literature

For a review of metal arenesulfonates, see: Cai (2004 ▶). For a related strontium naphthalenedisulfonate, see: Cai et al. (2001 ▶).

Experimental

Crystal data

[Sr(C₁₀H₆O₆S₂)(H₂O)₂]
M _r = 409.92
Orthorhombic,
a = 13.064 (6) Å
b = 19.324 (9) Å
c = 5.1989 (17) Å
V = 1312.5 (9) Å³
Z = 4
Mo Kα radiation
μ = 4.46 mm⁻¹
T = 293 K
0.18 × 0.12 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.501, T _max = 0.616
11845 measured reflections
2962 independent reflections
2646 reflections with I > 2σ(I)
R _int = 0.040

Refinement

R[F ² > 2σ(F ²)] = 0.028
wR(F ²) = 0.071
S = 1.04
2962 reflections
190 parameters
1 restraint
H-atom parameters constrained
Δρ_max = 0.60 e Å⁻³
Δρ_min = −0.51 e Å⁻³
Absolute structure: Flack (1983 ▶), 1584 Friedel pairs
Flack parameter: −0.011 (6)

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Supplementary Material

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811047313/xu5381sup1.cif

e-67-m1787-sup1.cif^{(18.9KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811047313/xu5381Isup2.hkl

e-67-m1787-Isup2.hkl^{(145.4KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Sr1—O1	2.612 (2)
Sr1—O2ⁱ	2.494 (2)
Sr1—O3ⁱⁱ	2.595 (2)
Sr1—O5ⁱⁱⁱ	2.549 (2)
Sr1—O6^iv	2.540 (2)
Sr1—O1w	2.614 (2)
Sr1—O2w	2.756 (3)
Sr1—O2w^v	2.974 (3)

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

Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1w—H1w1⋯O4^vi	0.84	2.29	3.066 (4)	154
O1w—H1w2⋯O4^vii	0.84	2.27	2.904 (4)	132
O2w—H2w2⋯O4^vii	0.84	2.03	2.856 (3)	167

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Symmetry codes: (vi) Inline graphic ; (vii) .

Acknowledgments

This work was supported by the Key Project of the Natural Science Foundation of Heilongjiang Province (No. ZD200903), the Key Project of the Education Bureau of Heilongjiang Province (No. 12511z023) and the University of Malaya.

supplementary crystallographic information

Comment

A review of metal arenesulfonates that are synthesized in aqueous medium explains the reasons for the ability of the ions to form stable metal-organic frameworks owing to multiple coordination modes of the sulfonate –SO₃ groups (Cai, 2004). Among the divalent metal derivatives, the strontium system has been less studied (Cai et al., 2001). In the crystal structure of Sr(H₂O)₂(C₁₀H₆O₆S₂), the C₁₀H₆O₆S₂^2- dianion uses one –SO₃ unit to bind to two Sr^II atoms and the other –SO₃ unit to bind to three Sr^II atoms; of the two water molecules, one is monodentate to one Sr atom whereas the other bridge two Sr atoms (Scheme I, Fig. 1). The µ₅-bridging mode of the dianon and the µ₂-bridging mode of the water molecule generates a polymeric three-dimensional network; the network is consolidated by O–H···O hydrogen bonds (Table 1). The Sr atom exists in an undefined eight-coordinate environment.

Experimental

Strontium nitrate (1 mmol) and sodium naphthalene-2,7-disulfonate (1 mmol) were dissolved in water (10 ml). The solution was filtered and set aside; colorless crystals were isolated from the filtrate after several days.