Information card for entry 2021366

Structure parameters

• Chemical name: (<i>E</i>)-[3-(Dibromomethyl)phenyl][3-(tribromomethyl)phenyl]diazene
• Formula: C14 H9 Br5 N2
• Calculated formula: C14 H9 Br5 N2
• Title of publication: Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes
• Authors of publication: Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 7.0161 ± 0.0011 Å
• b: 8.5634 ± 0.0013 Å
• c: 14.897 ± 0.002 Å
• α: 103.257 ± 0.002°
• β: 102.974 ± 0.002°
• γ: 91.703 ± 0.002°
• Cell volume: 845.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1365
• 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: Yes
• Has Fobs: Yes