Information card for entry 7054073

Structure parameters

• Formula: C33 H50 N2 O20 Tb3
• Calculated formula: C33 H50 N2 O20 Tb3
• Title of publication: Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand
• Authors of publication: Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 12
• Pages of publication: 4130
• a: 12.108 ± 0.002 Å
• b: 17.477 ± 0.004 Å
• c: 20.111 ± 0.004 Å
• α: 90°
• β: 91.99 ± 0.03°
• γ: 90°
• Cell volume: 4253.2 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No