Information card for entry 4111938

Structure parameters

• Common name: Tb(BTB)(H2O), 2(C6H11OH)
• Chemical name: aqua-Terbium(III) trisbenzoate, cyclohexanol solvate
• Formula: C39 H39 O9 Tb
• Calculated formula: C39 H39 O9 Tb
• Title of publication: MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area
• Authors of publication: Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12788 - 12789
• a: 28.5344 ± 0.0008 Å
• b: 28.5344 ± 0.0008 Å
• c: 12.2148 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8613 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No