Structural Determination of a New La(Ⅲ) Coordination Polymer with Pseudo-merohedral Twinning Structu

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Hydrothermal reaction of benzene-1,2,4,5-tetracarboxylic(Btec) dianhydride with La2O3 lead to a new organometallic compound, [La2(betc)(Hbtec)(H2O)3][HCONH(CH3)2](I). Single-crystal X-ray diffraction analysis reveals that it crystallizes in monoclinic space group P21/n that mimics orthorhombic space group Pnma(viz. pseudo-merohedral twinning structure) with a = 7.6002(16), b = 18.954(4), c = 18.213(4) ?, β = 90.121(3)o, V = 2623.5(9) ?3, Z = 4, Mr = 907.21, Dc = 2.297 g/cm3, F(000) = 1752, μ(Mo Kα) = 3.32 mm-1, R = 0.0575 and w R = 0.0956. The structure of I features a 3-D framework constructed by La(III) cations, btec4- ligands, Hbtec3-ligands and coordinated water molecule. All of the La(III) cations are 10-coordinated by O atoms into 1-D infinite chains, which are further interconnected by C atoms of btec ligands to form a 3-D framework. Hydrothermal reaction of benzene-1,2,4,5-tetracarboxylic (Btec) dianhydride with La2O3 lead to a new organometallic compound, [La2 (betc) (Hbtec) (H2O) 3] [HCONH (CH3) 2] . Single-crystal X-ray diffraction analysis reveals that it crystallizes in monoclinic space group P21 / n that mimics orthorhombic space group Pnma (viz. Pseudo-merohedral twinning structure) with a = 7.6002 (16), b = 18.954 = 18.213 (4), β = 90.121 (3) o, V = 2623.5 (9)? 3, Z = 4, Mr = 907.21, Dc = 2.297 g / cm3, F (000) = 1752, Kα) = 3.32 mm -1, R = 0.0575 and w R = 0.0956. The structure of I features a 3-D framework constructed by La (III) cations, btec4-ligands, Hbtec3-ligands and coordinated water molecule. La (III) cations are 10-coordinated by O atoms into 1-D infinite chains, which are further interconnected by C atoms of btec ligands to form a 3-D framework.
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