Information card for entry 4319692

Structure parameters

• Formula: C6 H14 F N O3 Si
• Calculated formula: C6 H14 F N O3 Si
• SMILES: [Si]1(F)(OC(=O)CO1)(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: 9.0669 ± 0.0018 Å
• b: 12.873 ± 0.003 Å
• c: 8.6764 ± 0.0017 Å
• α: 90°
• β: 110.73 ± 0.03°
• γ: 90°
• Cell volume: 947.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No