Information card for entry 4348883

Structure parameters

• Formula: C7 F4 N3 O2 Se2
• Calculated formula: C7 F4 N3 O2 Se2
• SMILES: C1(=N[Se][Se][N]1)c1c(F)c(F)c(N(=O)=O)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: 10.8009 ± 0.0011 Å
• b: 10.8843 ± 0.0016 Å
• c: 11.1355 ± 0.0018 Å
• α: 62.624 ± 0.007°
• β: 64.267 ± 0.009°
• γ: 63.07 ± 0.009°
• Cell volume: 993.3 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1655
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.3156
• Weighted residual factors for all reflections included in the refinement: 0.3642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No