Information card for entry 4088921

Structure parameters

• Formula: C44 H72 F K N8 O18 Si8
• Calculated formula: C44 H72 F K N8 O18 Si8
• SMILES: C(CCC#N)[Si]12O[Si]3(CCCC#N)O[Si]4(CCCC#N)O[Si](O[Si]5(CCCC#N)O[Si](O4)(O[Si](O3)(CCCC#N)O[Si](CCCC#N)(O5)O1)CCCC#N)(O2)CCCC#N.[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: 10.841 ± 0.0005 Å
• b: 10.8627 ± 0.0004 Å
• c: 14.0694 ± 0.0009 Å
• α: 92.776 ± 0.007°
• β: 90.134 ± 0.006°
• γ: 104.358 ± 0.007°
• Cell volume: 1603.04 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• 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