Information card for entry 7027954

Structure parameters

• Formula: C24 H51 Br Li3 N3 O3 S
• Calculated formula: C24 H51 Br Li3 N3 O3 S
• Title of publication: Oxidation of [Li4{(NBut)3S}2]: a new route to sulfur triimides ‡
• Authors of publication: Fleischer, Roland; Freitag, Stefanie; Stalke, Dietmar
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 2
• Pages of publication: 193
• a: 14.6343 ± 0.0002 Å
• b: 16.1063 ± 0.0001 Å
• c: 13.9204 ± 0.0002 Å
• α: 90 ± 0.001°
• β: 90 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 3281.1 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.0951
• Goodness-of-fit parameter for all reflections: 1.335
• Goodness-of-fit parameter for significantly intense reflections: 1.353
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No