Information card for entry 4070175

Structure parameters

• Chemical name: 1,1-bis[kappa-O-(8-oxyquinolinato)]silacycloheptane
• Formula: C24 H24 N2 O2 Si
• Calculated formula: C24 H24 N2 O2 Si
• SMILES: [Si]1(Oc2cccc3cccnc23)(Oc2cccc3cccnc23)CCCCCC1
• 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: 17.0154 ± 0.0007 Å
• b: 16.2456 ± 0.0006 Å
• c: 7.2695 ± 0.0003 Å
• α: 90°
• β: 90.012 ± 0.002°
• γ: 90°
• Cell volume: 2009.47 ± 0.14 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: 0.0463
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No