Information card for entry 4088920

Structure parameters

• Formula: C36 H56 F N8 O18 Rb Si8
• Calculated formula: C36 H56 F N8 O18 Rb Si8
• SMILES: C(#N)CC[Si]12O[Si]3(O[Si]4(CCC#N)O[Si]5(O[Si](CCC#N)(O3)O[Si](CCC#N)(O1)O[Si](CCC#N)(O5)O[Si](CCC#N)(O2)O4)CCC#N)CCC#N.[F-].[Rb]12345[O]6CC[O]1CC[O]2CC[O]4CC[O]3CC[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: 15.1086 ± 0.0005 Å
• b: 19.1296 ± 0.0006 Å
• c: 18.9252 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5469.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• 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