Information card for entry 7110808

Structure parameters

• Formula: C12 H18 Cl N O3 Si
• Calculated formula: C12 H18 Cl N O3 Si
• SMILES: [Cl-].[OH2][Si]1(Oc2[n+](C1)c1ccccc1cc2)(C)C.O
• Title of publication: The X-ray structure of a protonated hypervalent silanol
• Authors of publication: Bassindale, Alan R.; Parker, David J.; Taylor, Peter G.; Auner, Norbert; Herrschaft, Bernhard
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 565
• a: 9.126 ± 0.002 Å
• b: 7.223 ± 0.001 Å
• c: 21.45 ± 0.004 Å
• α: 90°
• β: 91.54 ± 0.03°
• γ: 90°
• Cell volume: 1413.4 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No