Information card for entry 1550129

Structure parameters

• Chemical name: (<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide
• Formula: C12 H8 Br2 N2 O
• Calculated formula: C12 H8 Br2 N2 O
• Title of publication: (<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide
• Authors of publication: Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: x181486
• a: 3.8938 ± 0.0002 Å
• b: 5.8223 ± 0.0003 Å
• c: 25.8645 ± 0.0016 Å
• α: 90°
• β: 92.044 ± 0.005°
• γ: 90°
• Cell volume: 586 ± 0.06 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes