Information card for entry 2007588

Structure parameters

• Common name: tetra-n-butylammonium trinitromethane
• Chemical name: tetra-n-butylammonium trinitromethanide
• Formula: C17 H36 N4 O6
• Calculated formula: C17 H36 N4 O6
• Title of publication: Tetrabutylammonium and Caesium Salts of Trinitromethane
• Authors of publication: Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1229 - 1233
• a: 16.923 ± 0.002 Å
• b: 14.783 ± 0.002 Å
• c: 17.6634 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4418.9 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No