Information card for entry 4127739

Structure parameters

• Formula: C45 H58 Cl2 N4 O Si3
• Calculated formula: C45 H58 Cl2 N4 O Si3
• SMILES: [Si]12([Si]([Si]3([N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)c3c4Oc5c2cccc5C(c4ccc3)(C)C)Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C.[Cl-]
• Title of publication: Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.
• Authors of publication: Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12916 - 12927
• a: 23.5865 ± 0.0016 Å
• b: 24.6752 ± 0.0009 Å
• c: 8.9356 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5200.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No