Hydrothermal synthesis and ab initio structural resolution from X-ray powder diffraction of a new open framework Cu(II) carboxyethylphosphonate: Na[Cu(O3P-(CH2)2-CO2)]

M Riou-Cavellec; M Sanselme; N Guillou; G Férey

doi:10.1021/ic000758j

Hydrothermal synthesis and ab initio structural resolution from X-ray powder diffraction of a new open framework Cu(II) carboxyethylphosphonate: Na[Cu(O3P-(CH2)2-CO2)]

Inorg Chem. 2001 Feb 12;40(4):723-5. doi: 10.1021/ic000758j.

Authors

M Riou-Cavellec¹, M Sanselme, N Guillou, G Férey

Affiliation

¹ Institut Lavoisier, UMR CNRS 8637, Université de Versailles, 45 Avenue des Etats-Unis, 78035 Versailles, France. [email protected]

PMID: 11225115
DOI: 10.1021/ic000758j

Abstract

Na[Cu(O3P-(CH2)2-CO2)], or MIL-39 (for Material of Institut Lavoisier), was synthesized hydrothermally at 443 K for 72 h under autogenous pressure. Its three-dimensional open structure was determined from X-ray powder diffraction. MIL-39 is monoclinic, it crystallizes in the space group P2(1)/m, (No. 11) with the following cell parameters at 293 K: a = 8.808(1) A, b = 6.4149(8) A, c = 5.3418(8) A, beta = 105.75(1) degrees, Z = 2. Its framework contains double rows built from isolated distorted CuO5 square pyramids linked by PO3C tetrahedral groups from (O3P-(CH2)2-CO2)3- organic moieties. At the other end of these latter moieties, the carboxylate group links two different Cu polyhedra of two neighboring chains. These connections define two types of channels along [010].