Information card for entry 4342985

Structure parameters

• Chemical name: selenium dicyanide difluoride diglyme-solvate
• Formula: C8 H14 F2 N2 O3 Se
• Calculated formula: C8 H14 F2 N2 O3 Se
• SMILES: C(#N)[Se]12(C#N)([O](C)CC[O]1CC[O]2C)(F)F
• 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: 7.643 ± 0.006 Å
• b: 7.651 ± 0.006 Å
• c: 11.962 ± 0.009 Å
• α: 84.701 ± 0.016°
• β: 89.908 ± 0.017°
• γ: 63.773 ± 0.018°
• Cell volume: 624.2 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No