Information card for entry 2230957

Structure parameters

• Common name: Oxonium picrate
• Chemical name: Oxonium 2,4,6-trinitrophenolate
• Formula: C6 H5 N3 O8
• Calculated formula: C6 H5 N3 O8
• Title of publication: Oxonium picrate
• Authors of publication: Jin, Shou-Wen; Chen, Bing-Xia; Ge, Yu-Shuang; Yin, Hua-Bing; Fang, Yu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1694
• a: 7.151 ± 0.0006 Å
• b: 19.8082 ± 0.00018 Å
• c: 13.5061 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1913.12 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes