Information card for entry 2005143

Structure parameters

• Formula: C12 H10 N6
• Calculated formula: C12 H10 N6
• Title of publication: An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine
• Authors of publication: Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1841 - 1843
• a: 7.3732 ± 0.0007 Å
• b: 11.0354 ± 0.0009 Å
• c: 13.82 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1124.48 ± 0.16 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0379
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No