Information card for entry 4127745

Structure parameters

• Formula: C63 H75 B N4 O Si3
• Calculated formula: C63 H75 B N4 O Si3
• SMILES: [Si]12([SiH][Si]3([N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)c3c4Oc5c2cccc5C(c4ccc3)(C)C)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C.c1ccc(cc1)[BH](c1ccccc1)c1ccccc1
• 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: 9.0272 ± 0.0007 Å
• b: 18.6044 ± 0.0014 Å
• c: 18.9208 ± 0.0012 Å
• α: 112.095 ± 0.007°
• β: 91.889 ± 0.006°
• γ: 94.254 ± 0.006°
• Cell volume: 2929.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No