Information card for entry 4108304

Structure parameters

• Formula: C4 H14 B11 Cl11 O3
• Calculated formula: C4 H14 B11 Cl11 O3
• Title of publication: The Nature of the Hydrated Proton H(aq)+ in Organic Solvents
• Authors of publication: Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12128 - 12138
• a: 10.583 ± 0.0001 Å
• b: 18.6893 ± 0.0002 Å
• c: 12.2943 ± 0.0002 Å
• α: 90°
• β: 97.933 ± 0.001°
• γ: 90°
• Cell volume: 2408.4 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No