Information card for entry 2014676

Structure parameters

• Common name: 2,2',4,4',6,6'-Hexanitroazobenzene (HNAB-III)
• Chemical name: bis(2,4,6-trinitrophenyl)diazene
• Formula: C12 H4 N8 O12
• Calculated formula: C12 H4 N8 O12
• Title of publication: Form III of 2,2',4,4',6,6'-hexanitroazobenzene (HNAB-III)
• Authors of publication: Mark A. Rodriguez; Charles F. Campana; A. David Rae; Edward Graeber; Bruno Morosin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o127 - o130
• a: 15.4015 ± 0.0008 Å
• b: 5.524 ± 0.0003 Å
• c: 22.1182 ± 0.0011 Å
• α: 90°
• β: 110.367 ± 0.002°
• γ: 90°
• Cell volume: 1764.13 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes