Information card for entry 7035526

Structure parameters

• Formula: C8 H5 F15 Si
• Calculated formula: C8 H5 F15 Si
• SMILES: [Si](C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)CC
• Title of publication: Pentafluoroethyl-substituted α-silanes: model compounds for new insights.
• Authors of publication: Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13347 - 13358
• a: 8.5336 ± 0.0003 Å
• b: 8.7427 ± 0.0003 Å
• c: 18.1777 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1356.18 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No