Information card for entry 7009011

Structure parameters

• Formula: C20 H27 I5 O7
• Calculated formula: C20 H24 I5 O7
• Title of publication: Investigations of the polyiodides H3O·Ix (x = 3, 5 or 7) as dibenzo-18-crown-6 complexes
• Authors of publication: Kloo, Lars; Svensson, Per H.; Taylor, Michael J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1061
• a: 8.2508 ± 0.0008 Å
• b: 24.949 ± 0.005 Å
• c: 14.224 ± 0.006 Å
• α: 90°
• β: 97.59 ± 0.02°
• γ: 90°
• Cell volume: 2902.3 ± 1.4 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0374
• Goodness-of-fit parameter for significantly intense reflections: 1.559
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No