Information card for entry 4326796

Structure parameters

• Formula: C39 H71 N28 Nd O37 S
• Calculated formula: C39 H67 N28 Nd O37 S
• 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: 14.3766 ± 0.0005 Å
• b: 15.0916 ± 0.0003 Å
• c: 14.934 ± 0.0005 Å
• α: 90°
• β: 101.118 ± 0.002°
• γ: 90°
• Cell volume: 3179.36 ± 0.17 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: 0.0378
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No