Information card for entry 7004541

Structure parameters

• Formula: C9 H8 F7 N Si
• Calculated formula: C9 H8 F7 N Si
• SMILES: [Si](F)(F)(c1c(F)c(F)c(F)c(F)c1F)CN(C)C
• Title of publication: On the presence or absence of geminal Si⋯N interactions (α-effect) in pentafluorophenylsilyl compounds with SiCN, SiNN and SiON backbones
• Authors of publication: Woski, Markus; Berger, Raphael J. F.; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5652 - 5658
• a: 5.8972 ± 0.0012 Å
• b: 10.326 ± 0.002 Å
• c: 10.892 ± 0.002 Å
• α: 68.54 ± 0.03°
• β: 80.39 ± 0.03°
• γ: 74.53 ± 0.03°
• Cell volume: 593.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No