Information card for entry 4070173

Structure parameters

• Chemical name: 1,1-bis[kappa-O-(8-oxyquinolinato)]silacyclohexane
• Formula: C23 H22 N2 O2 Si
• Calculated formula: C23 H22 N2 O2 Si
• SMILES: [Si]1(Oc2cccc3cccnc23)(Oc2cccc3cccnc23)CCCCC1
• 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: 16.861 ± 0.003 Å
• b: 15.362 ± 0.003 Å
• c: 7.5845 ± 0.0013 Å
• α: 90°
• β: 90.275 ± 0.006°
• γ: 90°
• Cell volume: 1964.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No