Information card for entry 2013759

Structure parameters

• Chemical name: N,N-dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate
• Formula: C16 H13 N5 O2
• Calculated formula: C16 H13 N5 O2
• Title of publication: <i>N</i>,<i>N</i>-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate
• Authors of publication: Tafeenko, Viktor A.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o62 - o64
• a: 7.0399 ± 0.0007 Å
• b: 12.5636 ± 0.0012 Å
• c: 8.6695 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 766.79 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes