Information card for entry 4126388

Structure parameters

• Formula: C49 H68 N4 O2 Si2
• Calculated formula: C49 H68 N4 O2 Si2
• SMILES: [Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)c1c2Oc3c(C(c2ccc1)(C)C)cccc3[Si]1[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C.C(C)OCC
• Title of publication: Divalent Silicon-Assisted Activation of Dihydrogen in a Bis(N-heterocyclic silylene)xanthene Nickel(0) Complex for Efficient Catalytic Hydrogenation of Olefins.
• Authors of publication: Wang, Yuwen; Kostenko, Arseni; Yao, Shenglai; Driess, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.5531 ± 0.0002 Å
• b: 24.8195 ± 0.0003 Å
• c: 14.3136 ± 0.0001 Å
• α: 90°
• β: 99.405 ± 0.001°
• γ: 90°
• Cell volume: 4750.1 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No