Information card for entry 7120539

Structure parameters

• Formula: C29 H46 F3 N3 O Si3
• Calculated formula: C29 H46 F3 N3 O Si3
• SMILES: [Si]1(F)(OC(=C(F)F)c2ccccc2)([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: C(sp3)–F, C(sp2)–F and C(sp3)–H bond activation at silicon(II) center
• Authors of publication: Swamy, V.S.V.S.N.; Parvin, Nasrina; Vipin Raj, K.; Vanka, Kumar; Sen, Sakya Singha
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.152 ± 0.003 Å
• b: 10.449 ± 0.003 Å
• c: 30.517 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3237.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No