Information card for entry 2017094

Structure parameters

• Chemical name: bis[1-(diaminomethylene)thiouron-1-ium] hexafluoridosilicate
• Formula: C4 H14 F6 N8 S2 Si
• Calculated formula: C4 H14 F6 N8 S2 Si
• SMILES: C(=S)(NC(=[NH2+])N)N.F[Si](F)(F)(F)([F-])[F-].C(=S)(NC(=[NH2+])N)N
• Title of publication: Products of the interaction of (1-diaminomethylene)thiourea with hydrofluoric acid
• Authors of publication: Hołyńska, Małgorzata; Kubiak, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o191 - o194
• a: 6.537 ± 0.003 Å
• b: 7.39 ± 0.003 Å
• c: 7.884 ± 0.004 Å
• α: 83.65 ± 0.03°
• β: 83.44 ± 0.03°
• γ: 66.15 ± 0.03°
• Cell volume: 345.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes