Information card for entry 4111420

Structure parameters

• Formula: C12 H13 N O8.5 Tb
• Calculated formula: C9 H3 O25 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: 10.2792 ± 0.0011 Å
• b: 10.2792 ± 0.0011 Å
• c: 14.5376 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.1 ± 0.3 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No