Poly[μ2-aqua-μ4-naphthalene-1,8-dicarboxyl­ato-manganese(II)]

Guo-Ying Zhang; Xin Zhang; Gui-Sheng Yu

doi:10.1107/S1600536807063696

. 2007 Dec 18;64(Pt 1):m214. doi: 10.1107/S1600536807063696

Poly[μ₂-aqua-μ₄-naphthalene-1,8-dicarboxylato-manganese(II)]

Guo-Ying Zhang ^a,^*, Xin Zhang ^a, Gui-Sheng Yu ^a

PMCID: PMC2915142 PMID: 21200561

Abstract

The asymmetric unit of the title complex, [Mn(C₁₂H₆O₄)(H₂O)]_n, contains one Mn^II ion, one 1,8-naphthalenedicarboxylate (1,8-NDC) ligand and one water molecule. The Mn^II ion is six-coordinated within a distorted octahedral coordination geometry, in which the equatorial sites are occupied by four carboxylate O atoms from four different 1,8-NDC ligands, while the axial positions are occupied by two O atoms of two coordinated water molecules. Adjacent Mn^II centres are bridged by one coordinated water and two carboxylate groups in a syn–syn mode to form infinite chains along the b axis, which are further cross-linked by the naphthalene spacers of the 1,8-NDC ligands to produce a two-dimensional extended network.

Related literature

For general background, see: Chen et al. (2005 ▶). For related literature, see: Van der Ploeg et al. (1979 ▶); Hu et al. 2006 ▶.

Experimental

Crystal data

[Mn(C₁₂H₆O₄)(H₂O)]
M _r = 287.12
Monoclinic,
a = 15.720 (3) Å
b = 7.2167 (14) Å
c = 9.837 (2) Å
β = 98.87 (3)°
V = 1102.6 (4) Å³
Z = 4
Mo Kα radiation
μ = 1.21 mm⁻¹
T = 294 (2) K
0.20 × 0.20 × 0.16 mm

Data collection

Rigaku R-AXIS RAPID-S diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T _min = 0.794, T _max = 0.830
9056 measured reflections
1945 independent reflections
1632 reflections with I > 2σ(I)
R _int = 0.058

Refinement

R[F ² > 2σ(F ²)] = 0.040
wR(F ²) = 0.089
S = 1.09
1945 reflections
171 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.85 e Å⁻³
Δρ_min = −0.33 e Å⁻³

Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Bruker, 1998 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807063696/hk2400sup1.cif

e-64-0m214-sup1.cif^{(17.2KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807063696/hk2400Isup2.hkl

e-64-0m214-Isup2.hkl^{(95.7KB, hkl)}

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

Table 1. Selected geometric parameters (Å, °).

Mn1—O2ⁱ	2.115 (2)
Mn1—O4	2.122 (2)
Mn1—O1	2.156 (2)
Mn1—O3	2.159 (2)
Mn1—O1W	2.214 (2)
Mn1—O1Wⁱⁱ	2.232 (2)

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O2ⁱ—Mn1—O4	105.32 (8)
O2ⁱ—Mn1—O1	171.04 (8)
O4—Mn1—O1	83.54 (8)
O2ⁱ—Mn1—O3	83.67 (8)
O4—Mn1—O3	170.82 (8)
O1—Mn1—O3	87.43 (8)
O2ⁱ—Mn1—O1W	90.70 (9)
O4—Mn1—O1W	90.40 (9)
O1—Mn1—O1W	87.88 (9)
O3—Mn1—O1W	87.61 (9)
O2ⁱ—Mn1—O1Wⁱⁱ	85.20 (9)
O4—Mn1—O1Wⁱⁱ	86.44 (9)
O1—Mn1—O1Wⁱⁱ	96.86 (8)
O3—Mn1—O1Wⁱⁱ	96.31 (9)
O1W—Mn1—O1Wⁱⁱ	173.97 (6)

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Symmetry codes: (i) Inline graphic ; (ii) .

Acknowledgments

The authors thank Tianjin Normal University for supporting this work.

supplementary crystallographic information

Comment

Aromatic carboxylic derivatives as versatile building blocks not only exhibit great potentials in constructing multi-dimensional networks, but also provide various advantages in producing magnetic molecular assemblies with variable size from discrete molecules to nanometer-scale aggregates and infinite solids (Chen et al., 2005). 1,8-Naphthalenedicarboxylate (1,8-NDC), a rigid multi- carboxylate ligand, is of special interest, since its multiple coordination sites, high symmetry and large conjugated structure can allow to construct molecular assemblies with novel structural motifs and physical properties. However, the metal complex of 1,8-NDC is rare so far (Van der Ploeg et al., 1979; Hu et al., 2006). We herein report the crystal structure of the title manganese complex, (I).

The asymmetric unit of (I) contains one Mn^II ion, one 1,8-NDC ligand and one water molecule. The Mn^II ion is six-coordinated within a distorted octahedral coordination geometry. The equatorial sites are occupied by four carboxylate oxygen atoms from different 1,8-NDC ligands, while the axial positions are occupied by two water molecules. The Mn—O distances are within their normal ranges (Table 1). Adjacent Mn^II centers are bridged by two carboxylate groups and one coordination water to form an infinite one-dimensional chain running along the b axis, in which the carboxylate groups adopt syn-syn bidentate coordination mode (Fig. 2). The intrachain Mn···Mn distance is 3.614 Å. The one-dimensional chains are further cross-linked by the naphthalene spacers of 1,8-NDC to produce a two-dimensional extended network (Fig. 3).

Experimental

For the preparaton of the title complex, a mixture of MnCl₂ (1 mmol), 1,8-naphthalenedicarboxylic acid (1 mmol), NaOH (2 mmol) and water (8 ml) in a teflon-lined stainless steel autoclave (15 ml) was kept at 423 K for 2 d. Colorless crystals were obtained after cooling to room temperature (yield; 30%). Anal. Calc. for C₁₂H₈MnO₅: C 50.20, H 2.81%; Found: 50.56, H 2.52%.