Information card for entry 2010032

Structure parameters

• Chemical name: 1,1,-dimethyl-5-phenyl-1,2,5-triazapentadienium picrate
• Formula: C16 H16 N6 O7
• Calculated formula: C16 H16 N6 O7
• Title of publication: 1,1-Dimethyl-5-phenyl-1,2,5-triazapentadienium picrate
• Authors of publication: Blake, Alexander J.; Gould, Robert O.; Irving, Iain A.; McNab, Hamish
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1499 - 1501
• a: 12.7783 ± 0.0015 Å
• b: 9.5867 ± 0.0012 Å
• c: 8.2046 ± 0.0012 Å
• α: 80.066 ± 0.006°
• β: 108.617 ± 0.009°
• γ: 95.533 ± 0.008°
• Cell volume: 937.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.2165
• Weighted residual factors for significantly intense reflections: 0.1871
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No