Information card for entry 7114671

Structure parameters

• Formula: C25.5 H28 F4 K O0.5 Si
• Calculated formula: C25.5 H28 F4 K O0.5 Si
• SMILES: [K+].[Si](F)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(F)(F)F.O=C(C)C
• Title of publication: The first polymer with a fluorosilicate backbone and a non-polar shell
• Authors of publication: Pietschnig, Rudolf; Merz, Klaus
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1210
• a: 27.63 ± 0.02 Å
• b: 11.432 ± 0.012 Å
• c: 17.03 ± 0.02 Å
• α: 90°
• β: 111.5 ± 0.04°
• γ: 90°
• Cell volume: 5005 ± 9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No