Information card for entry 4342983

Structure parameters

• Chemical name: selenium dicyanide difluoride 12-crown-4-solvate
• Formula: C17 H24 F2 N2 O4 Se
• Calculated formula: C17 H24 F2 N2 O4 Se
• SMILES: C1[O]2CC[O]3[Se]42([O](CC[O]4C1)CC3)(F)(F)(C#N)C#N.c1(ccccc1)C
• 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: 16.404 ± 0.003 Å
• b: 12.071 ± 0.002 Å
• c: 19.75 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3910.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No