Information card for entry 2243256

Structure parameters

• Chemical name: Tris(2-oxopropyl)selanium 1-ammonioundecafluorododecaborate
• Formula: C9 H18 B12 F11 N O3 Se
• Calculated formula: C9 H18 B12 F11 N O3 Se
• SMILES: [Se+](CC(=O)C)(CC(=O)C)CC(=O)C.F[B]1234[B]567(F)[B]89%10([NH3])[B]%11%125(F)[B]5%138(F)[B]8%14%15(F)[B]%161(F)([B]269(F)[B]%105%14%16F)[B]138(F)[B]47%11(F)[B]%12%13%151F
• Title of publication: [Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents
• Authors of publication: Jenne, Carsten; Nierstenhöfer, Marc C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 221 - 224
• a: 12.6157 ± 0.0003 Å
• b: 16.9629 ± 0.0004 Å
• c: 22.2759 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4767 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes