Information card for entry 7009402

Structure parameters

• Formula: C38 H69 K O8 S
• Calculated formula: C38 H69 K O8 S
• Title of publication: Formation of separated versus contact ion pairs in alkali metal thiolates and selenolates
• Authors of publication: Chadwick, Scott; Englich, Ulrich; Ruhlandt-Senge, Karin; Watson, Charles; Bruce, Alice E.; Bruce, Mitchell R. M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2167
• a: 10.68 ± 0.005 Å
• b: 16.11 ± 0.001 Å
• c: 24.857 ± 0.001 Å
• α: 90°
• β: 92.72 ± 0.04°
• γ: 90°
• Cell volume: 4272 ± 2 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 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: 0.1471
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections: 0.2788
• Weighted residual factors for significantly intense reflections: 0.2416
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No