Information card for entry 2223271

Structure parameters

• Chemical name: 4-Nitroaniline‒picric acid (2/1)
• Formula: C9 H6 N4 O8
• Calculated formula: C9 H6 N4 O8
• Title of publication: 4-Nitroaniline‒picric acid (2/1)
• Authors of publication: Li, Yan-jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2566
• a: 23.534 ± 0.002 Å
• b: 9.3318 ± 0.0008 Å
• c: 10.5047 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2307 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes