Information card for entry 7057048

Structure parameters

• Formula: C12 H9 N5 O8
• Calculated formula: C12 H9 N5 O8
• Title of publication: Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes
• Authors of publication: Tarai, Arup; Baruah, Jubaraj B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4757
• a: 3.8305 ± 0.0004 Å
• b: 13.112 ± 0.002 Å
• c: 14.5122 ± 0.0018 Å
• α: 80.38 ± 0.012°
• β: 82.576 ± 0.01°
• γ: 86.434 ± 0.012°
• Cell volume: 711.99 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No