Information card for entry 2231091

Structure parameters

• Common name: [2.1.1]cryptand siliconhexafluoride
• Chemical name: 4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate
• Formula: C14 H30 F6 N2 O4 Si
• Calculated formula: C14 H30 F6 N2 O4 Si
• SMILES: C1COCCOCC[NH+]2CCOCC[NH+]1CCOCC2.F[Si](F)(F)(F)([F-])[F-]
• Title of publication: 4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate
• Authors of publication: Sen Gupta, Nalinava; Wragg, David S.; Tilset, Mats; Omtvedt, Jon Petter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1958 - o1959
• a: 10.05 ± 0.005 Å
• b: 23.218 ± 0.005 Å
• c: 8.031 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes