Information card for entry 4348884

Structure parameters

• Formula: C7 F5 N2 Se2
• Calculated formula: C7 F5 N2 Se2
• SMILES: [Se]1[Se][N]C(=N1)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.
• Authors of publication: Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11747 - 11759
• a: 10.812 ± 0.009 Å
• b: 10.811 ± 0.002 Å
• c: 15.502 ± 0.01 Å
• α: 90°
• β: 93.41 ± 0.06°
• γ: 90°
• Cell volume: 1808.8 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No