Information card for entry 4329754

Structure parameters

• Chemical name: poly-{[(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O'-bis- (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- diacuadicerium(III)]hydrate}
• Formula: C18 H12 Ce2 N6 O15
• Calculated formula: C18 H12 Ce2 N6 O15
• 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: 9.3148 ± 0.0002 Å
• b: 10.3964 ± 0.0002 Å
• c: 12.4509 ± 0.0003 Å
• α: 90°
• β: 106.685 ± 0.003°
• γ: 90°
• Cell volume: 1154.99 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No