Information card for entry 4072488

Structure parameters

• Formula: C36 H35 N3 O3 Si2
• Calculated formula: C36 H35 N3 O3 Si2
• SMILES: [Si]12([Si]3(N(c4ccccc4)CCN3c3ccccc3)C)(Oc3cc(OC)ccc3C(=[N]2c2ccccc2O1)c1ccccc1)C
• Title of publication: A Disilane with a Hypercoordinate Silicon Atom: Coordination of an Imine Ligand versus Si−Si Bond Splitting
• Authors of publication: Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 155
• a: 12.5431 ± 0.0003 Å
• b: 8.8949 ± 0.0002 Å
• c: 29.0676 ± 0.0007 Å
• α: 90°
• β: 99.748 ± 0.001°
• γ: 90°
• Cell volume: 3196.24 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No