Information card for entry 1516397

Structure parameters

• Formula: C6 H6 O9 Tb
• Calculated formula: C6 H6 O9 Tb
• Title of publication: Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks.
• Authors of publication: Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 36
• Pages of publication: 12181 - 12188
• a: 13.341 ± 0.0003 Å
• b: 6.5718 ± 0.0001 Å
• c: 10.0912 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 884.74 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0126
• Residual factor for significantly intense reflections: 0.0119
• Weighted residual factors for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections included in the refinement: 0.0277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No