Information card for entry 7043272

Structure parameters

• Formula: C21 H27 N8 Nd O13
• Calculated formula: C21 H27 N8 Nd O13
• Title of publication: Lanthanide Metal Organic Frameworks based on dicarboxyl-functionalized arylhydrazone of barbituric acid: Syntheses, Structures, Luminescence and Catalytic Aldehydes Cyanosilylation
• Authors of publication: Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Paul, Anup; Guedes da Silva, M. Fátima C.; Mahmudov, Kamran T.; Guseinov, Firudin I.; Carabineiro, Sónia A.C.; Pombeiro, Armando J. L.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.9927 ± 0.0003 Å
• b: 11.1065 ± 0.0003 Å
• c: 14.1247 ± 0.0004 Å
• α: 84.012 ± 0.001°
• β: 67.888 ± 0.002°
• γ: 64.161 ± 0.001°
• Cell volume: 1434.23 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No