Information card for entry 4342987

Structure parameters

• Chemical name: selenium dicyanide difluoride tetrahydrofurane-solvate
• Formula: C10 H16 F2 N2 O2 Se
• Calculated formula: C10 H16 F2 N2 O2 Se
• SMILES: C(#N)[Se](F)(F)C#N.C1CCCO1.C1CCCO1
• Title of publication: Structure and Chemistry of SeFx(CN)4-x Compounds.
• Authors of publication: Fritz, Stefanie; Ehm, Christian; Lentz, Dieter
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5220 - 5231
• a: 13.717 ± 0.018 Å
• b: 20.45 ± 0.04 Å
• c: 4.804 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No