Information card for entry 4326798

Structure parameters

• Formula: C78 H148 N56 O77 S2 Tb2
• Calculated formula: C78 H120 N56 O77 S2 Tb2
• Title of publication: l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies
• Authors of publication: Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10558 - 10560
• a: 14.9551 ± 0.0004 Å
• b: 15.3965 ± 0.0004 Å
• c: 28.7244 ± 0.0005 Å
• α: 90°
• β: 101.091 ± 0.002°
• γ: 90°
• Cell volume: 6490.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No