Information card for entry 4329749

Structure parameters

• Chemical name: poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuadisamarium(III)]undecahydrate}
• Formula: C18 H52 N6 O29 Sm2
• Calculated formula: C18 H18 N6 O29 Sm2
• Title of publication: Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties
• Authors of publication: Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7875 - 7888
• a: 22.641 ± 0.001 Å
• b: 11.933 ± 0.001 Å
• c: 14.522 ± 0.001 Å
• α: 90°
• β: 91.371 ± 0.003°
• γ: 90°
• Cell volume: 3922.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No