Information card for entry 5000306

Structure parameters

• Common name: 2,2''-azo-bis-isobutyrylnitrile
• Formula: C8 H12 N4
• Calculated formula: C8 H12 N4
• Authors of publication: David Ihle/D. Williams
• a: 5.4218 ± 0.0003 Å
• b: 6.1566 ± 0.0004 Å
• c: 7.6275 ± 0.0005 Å
• α: 78.726 ± 0.001°
• β: 81.593 ± 0.002°
• γ: 72.219 ± 0.001°
• Cell volume: 236.74 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No