Information card for entry 2005984

Structure parameters

• Chemical name: 1,3-bis(p-fluorophenyl)-triazene
• Formula: C12 H9 F2 N3
• Calculated formula: C12 H9 F2 N3
• SMILES: N(=NNc1ccc(cc1)F)c1ccc(cc1)F
• Title of publication: 1,3-Bis(<i>p</i>-fluorophenyl)triazene
• Authors of publication: Anulewicz, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 345 - 346
• a: 4.683 ± 0.001 Å
• b: 10.482 ± 0.002 Å
• c: 22.529 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1105.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1376
• Weighted residual factors for significantly intense reflections: 0.1207
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No