Information card for entry 1550252

Structure parameters

• Chemical name: Tetrabutylammonium hydroselenide
• Formula: C16 H37 N Se
• Calculated formula: C16 H37 N Se
• SMILES: [SeH-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion
• Authors of publication: Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.1628 ± 0.0005 Å
• b: 14.0547 ± 0.0005 Å
• c: 19.8443 ± 0.0007 Å
• α: 90°
• β: 110.832 ± 0.002°
• γ: 90°
• Cell volume: 3691.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No