Information card for entry 2239081

Structure parameters

• Chemical name: Butane-1,4-diammonium hexafluorosilicate
• Formula: C4 H14 F6 N2 Si
• Calculated formula: C4 H14 F6 N2 Si
• SMILES: C(CCC[NH3+])[NH3+].F[Si](F)(F)(F)([F-])[F-]
• Title of publication: Butane-1,4-diammonium hexafluorosilicate
• Authors of publication: Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o174
• a: 5.796 ± 0.001 Å
• b: 5.889 ± 0.001 Å
• c: 7.774 ± 0.002 Å
• α: 87.02 ± 0.01°
• β: 82.15 ± 0.01°
• γ: 61.87 ± 0.01°
• Cell volume: 231.79 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes