Information card for entry 4088917

Structure parameters

• Formula: C36 H64 F K O34 Si8
• Calculated formula: C36 H64 F K O34 Si8
• SMILES: C(OC(=O)C)[Si]12O[Si]3(O[Si]4(O[Si](COC(=O)C)(O1)O[Si]1(O[Si](COC(=O)C)(O[Si](COC(=O)C)(O[Si](COC(=O)C)(O2)O1)O3)O4)COC(=O)C)COC(=O)C)COC(=O)C.[F-].[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations
• Authors of publication: El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 24
• Pages of publication: 4004
• a: 10.687 ± 0.004 Å
• b: 11.839 ± 0.004 Å
• c: 12.269 ± 0.004 Å
• α: 82.019 ± 0.013°
• β: 78.529 ± 0.011°
• γ: 84.78 ± 0.014°
• Cell volume: 1503.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No