Information card for entry 4106143

Structure parameters

• Formula: C46 H112 N2 Si12
• Calculated formula: C46 H112 N2 Si12
• SMILES: C([Si](C([Si](C)(C)C)[Si](C)(C)C)(C(C)C)[SiH]1n2c(cc(cc2)N(C)C)=[Si]1[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)([Si](C)(C)C)[Si](C)(C)C.CCCCC
• Title of publication: Unusual Reactivity of a Disilyne with 4-Dimethylaminopyridine: Formation of an Intramolecularly N-Coordinated Silylene and Its Isomerization to a Zwitterionic Silyl Anion
• Authors of publication: Torahiko Yamaguchi; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 7352 - 7354
• a: 21.1093 ± 0.0017 Å
• b: 11.8779 ± 0.001 Å
• c: 26.872 ± 0.002 Å
• α: 90°
• β: 101.162 ± 0.001°
• γ: 90°
• Cell volume: 6610.3 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No