Information card for entry 4348882

Structure parameters

• Formula: C8 F7 N2 Se2
• Calculated formula: C8 F7 N2 Se2
• 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: 10.522 ± 0.0006 Å
• b: 11.0414 ± 0.0005 Å
• c: 11.874 ± 0.0005 Å
• α: 62.321 ± 0.003°
• β: 89.584 ± 0.003°
• γ: 63.769 ± 0.003°
• Cell volume: 1061.22 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No