Information card for entry 4070174

Structure parameters

• Chemical name: 1,1-bis[kappa-O,N-(8-oxyquinolinato)]silacyclohexane
• Formula: C23 H22 N2 O2 Si
• Calculated formula: C23 H22 N2 O2 Si
• SMILES: [Si]123(Oc4cccc5ccc[n]1c45)(Oc1cccc4ccc[n]2c14)CCCCC3
• Title of publication: Hypercoordinate Silacycloalkanes: Step-by-Step Tuning of N→Si Interactions§
• Authors of publication: Brendler, Erica; Wächtler, Erik; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5459
• a: 9.8534 ± 0.0004 Å
• b: 14.1842 ± 0.0005 Å
• c: 15.1915 ± 0.0006 Å
• α: 74.658 ± 0.002°
• β: 86.037 ± 0.002°
• γ: 72.272 ± 0.002°
• Cell volume: 1950.16 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No