Information card for entry 4319693

Structure parameters

• Formula: C13 H26 F N O3 Si
• Calculated formula: C13 H26 F N O3 Si
• SMILES: [Si]1(OC(=O)CO1)(F)(C[NH+]1C(CCCC1(C)C)(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: 11.73 ± 0.002 Å
• b: 9.809 ± 0.002 Å
• c: 14.01 ± 0.003 Å
• α: 90°
• β: 110.05 ± 0.03°
• γ: 90°
• Cell volume: 1514.3 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No