Information card for entry 4319694

Structure parameters

• Formula: C11 H17 F N2 O2 Si
• Calculated formula: C11 H17 F N2 O2 Si
• SMILES: [Si]1(F)(OC(=NO1)c1ccccc1)(C[NH+](C)C)C
• Title of publication: Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution
• Authors of publication: Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2520 - 2527
• a: 10.967 ± 0.002 Å
• b: 10.812 ± 0.007 Å
• c: 22.5856 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2678.1 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No