Information card for entry 4100976

Structure parameters

• Common name: CB10 @ bis-diammonium tetraidodide hydrate
• Formula: C94 H167.87 I4 N54 O54.94
• Calculated formula: C94 H102 I4 N54 O54.9
• Title of publication: Cucurbit[10]uril.
• Authors of publication: Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 48
• Pages of publication: 16798 - 16799
• a: 19.476 ± 0.004 Å
• b: 20.192 ± 0.004 Å
• c: 18.567 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7302 ± 3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No