Information card for entry 4111419

Structure parameters

• Formula: C12 H16 N3 O9 S Tb
• Calculated formula: C12 H16 N3 O9 S 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: 10.6926 ± 0.0011 Å
• b: 10.6727 ± 0.0011 Å
• c: 15.7533 ± 0.0016 Å
• α: 90°
• β: 95.865 ± 0.002°
• γ: 90°
• Cell volume: 1788.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No