Information card for entry 2234979

Structure parameters

• Common name: Bis phenylalaninium hexafluorosilicate(VI)
• Chemical name: (±)-Bis(1-carboxy-2-phenylethanaminium) hexafluorosilicate(VI)
• Formula: C18 H24 F6 N2 O4 Si
• Calculated formula: C18 H24 F6 N2 O4 Si
• SMILES: C([NH3+])(C(=O)O)Cc1ccccc1.F[Si](F)(F)(F)([F-])[F-].C(=O)(C(Cc1ccccc1)[NH3+])O
• Title of publication: (±)-Bis(1-carboxy-2-phenylethanaminium) hexafluorosilicate(VI)
• Authors of publication: Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1791 - o1792
• a: 11.183 ± 0.002 Å
• b: 5.7531 ± 0.001 Å
• c: 17 ± 0.004 Å
• α: 90°
• β: 105.59 ± 0.02°
• γ: 90°
• Cell volume: 1053.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes