Information card for entry 7119832

Structure parameters

• Formula: C60 H68 N16 O4 Pr2
• Calculated formula: C52.02 H47.38 N3.34 O15.34 Pr2
• Title of publication: Ship in a breakable bottle: fluoride-induced release of an organic molecule from a Pr(III)-linked molecular cage
• Authors of publication: Juhoon Lee; Nolan W. Waggoner; Luis Polanco; Ga Rim You; Vincent M. Lynch; Sung Kuk Kim; Simon M. Humphrey; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8514
• a: 28.896 ± 0.0009 Å
• b: 8.6749 ± 0.0003 Å
• c: 14.2513 ± 0.0004 Å
• α: 90°
• β: 116.056 ± 0.001°
• γ: 90°
• Cell volume: 3209.29 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0828
• 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: Yes
• Has Fobs: No