Information card for entry 2012562

Structure parameters

• Chemical name: 1,3-Bis(2,4-dibromophenyl)triazene
• Formula: C12 H7 Br4 N3
• Calculated formula: C12 H7 Br4 N3
• SMILES: Brc1ccc(c(c1)Br)N/N=N/c1ccc(cc1Br)Br
• Title of publication: 1,3-Bis(2,4-dibromophenyl)triazene
• Authors of publication: Hörner, Manfredo; Casagrande, Ivan C.; Bordinhao, Jairo; Mössmer, Cäcilia M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o193 - o194
• a: 10.701 ± 0.005 Å
• b: 9.949 ± 0.005 Å
• c: 13.888 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1478.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.084
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes