Hybrid Organic−Inorganic Frameworks (MIL-n). Hydrothermal Synthesis of a Series of Pillared Lanthanide Carboxyethylphosphonates and X-ray Powder ab Initio Structure Determination of MIL-19, Pr[O3P(CH2)2CO2]

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Abstract
A series of lanthanide and yttrium carboxyethylphosphonates has been hydrothermally prepared (200 °C, 4 days) from the 1:1 mixture of carboxyethylphosphonic acid and the metal chlorides. The crystal structure of the praesodymium compound PrIII[O3P(CH2)2CO2] has been determined ab initio from X-ray powder diffraction data and refined by the Rietveld method. The compound crystallizes in the monoclinic space group P21/m (No. 11) with cell parameters at 20 °C a = 8.3617(2) Å, b = 7.1899(2) Å, c = 5.4586(2) Å, β = 103.784(2)°, and Z = 2. The final agreement factors converged to the values Rp = 0.139, Rwp = 0.177, Bragg R = 0.123, RF = 0.055, and χ2 = 3.50. The hybrid framework consists of inorganic Pr/O/P/C layers connected by organic groups, with an interlayer spacing of ∼8.36 Å. The praesodymium atoms are 7-fold coordinated in this pillared layered structure. Isostructural compounds were prepared for yttrium and the entire series of the lanthanide elements.

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