Information card for entry 4111413

Structure parameters

• Common name: MOF-80
• Formula: C33 H30 N2 O10 Tb
• Calculated formula: C33 H30 N2 O10 Tb
• Title of publication: Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units
• Authors of publication: Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1504 - 1518
• a: 9.8294 ± 0.0004 Å
• b: 12.1098 ± 0.0005 Å
• c: 14.6279 ± 0.0006 Å
• α: 109.75 ± 0.001°
• β: 103.613 ± 0.001°
• γ: 100.14 ± 0.001°
• Cell volume: 1529.29 ± 0.11 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No