Information card for entry 4072982

Structure parameters

• Common name: 11b
• Chemical name: Bis[N-(benzaldimino)acetimidato-N',O]t-butylchlorosilicon(IV)
• Formula: C22 H27 Cl N4 O2 Si
• Calculated formula: C22 H27 Cl N4 O2 Si
• SMILES: [Si]12(Cl)(OC(=N[N]1=Cc1ccccc1)C)(OC(=N[N]2=Cc1ccccc1)C)C(C)(C)C
• Title of publication: Competitive Molecular Rearrangements in Hexacoordinate Cyano-Silicon Dichelates
• Authors of publication: Kalikhman, Inna; Gostevskii, Boris; Kertsnus, Evgenia; Botoshansky, Mark; Tessier, Claire A.; Youngs, Wiley J.; Deuerlein, Stephan; Stalke, Dietmar; Kost, Daniel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2652
• a: 9.1022 ± 0.0018 Å
• b: 19.821 ± 0.004 Å
• c: 12.996 ± 0.003 Å
• α: 90°
• β: 97.21 ± 0.03°
• γ: 90°
• Cell volume: 2326.1 ± 0.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No