Information card for entry 7009403

Structure parameters

• Formula: C38 H69 K O8 Se
• Calculated formula: C38 H69 K O8 Se
• 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: 10.778 ± 0.002 Å
• b: 16.129 ± 0.003 Å
• c: 25.169 ± 0.005 Å
• α: 90°
• β: 93.6 ± 0.03°
• γ: 90°
• Cell volume: 4366.7 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.135
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1578
• Weighted residual factors for significantly intense reflections: 0.128
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No