Information card for entry 2002963

Structure parameters

• Chemical name: diaminoguanidinium hexafluorosilicate dihydrate
• Formula: C2 H18 F6 N8 O2 Si
• Calculated formula: C2 H18 F6 N8 O2 Si
• SMILES: C(=[NH2+])(N)NN.O.[Si](F)(F)(F)(F)([F-])[F-].C(=[NH2+])(N)NN.O
• Title of publication: Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate
• Authors of publication: Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 246 - 254
• a: 6.5124 ± 0.0001 Å
• b: 6.6952 ± 0.0002 Å
• c: 8.0215 ± 0.0003 Å
• α: 70.723 ± 0.002°
• β: 82.745 ± 0.002°
• γ: 89.243 ± 0.003°
• Cell volume: 327.348 ± 0.017 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No