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)]

• Published in: Inorganic chemistry 2001-02, Vol.40 (4), p.723-725
• Main Authors: Riou-Cavellec, Myriam, Sanselme, Morgane, Guillou, Nathalie, Férey, Gérard
• Format: Article
• Language: English
• ISSN: 0020-1669; 1520-510X
• DOI: 10.1021/ic000758j

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 P21/m, (No. 11) with the following cell parameters at 293 K: a = 8.808(1) Å, b = 6.4149(8) Å, c = 5.3418(8) Å, β = 105.75(1)°, 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].