Information card for entry 2240359

Structure parameters

• Common name: Bis adeninium hexafluorosilicate(VI) hydrate
• Chemical name: Bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate
• Formula: C10 H16 F6 N10 O2 Si
• Calculated formula: C10 H16 F6 N10 O2 Si
• SMILES: c1[nH]c(c2c(n1)[nH+]cn2)N.O.[Si](F)(F)(F)(F)([F-])[F-].c1[nH]c(c2c(n1)[nH+]cn2)N.O
• Title of publication: Crystal structure of bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate
• Authors of publication: Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Chtoun, El Hossain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o72 - o73
• a: 5.75 ± 0.0007 Å
• b: 7.8504 ± 0.0003 Å
• c: 10.0884 ± 0.0006 Å
• α: 79.141 ± 0.006°
• β: 84.534 ± 0.017°
• γ: 71.774 ± 0.009°
• Cell volume: 424.47 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes