Information card for entry 4112419

Structure parameters

• Common name: Tetrabutylammonium superoxide ammoniate
• Chemical name: Tetrabutylammonium hyperoxide ammoniate
• Formula: C16 H43.5 N3.5 O2
• Calculated formula: C16 H43.5 N3.5 O2
• Title of publication: Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State
• Authors of publication: Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4689 - 4696
• a: 23.56 ± 0.005 Å
• b: 13.386 ± 0.003 Å
• c: 15.539 ± 0.003 Å
• α: 90°
• β: 124.76 ± 0.03°
• γ: 90°
• Cell volume: 4026 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No