Information card for entry 4126390

Structure parameters

• Formula: C51 H76 N4 Ni O P2 Si2
• Calculated formula: C51 H76 N4 Ni O P2 Si2
• SMILES: [Ni]1([P](C)(C)C)([Si]2([N](=C(N2C(C)(C)C)c2ccccc2)C(C)(C)C)c2cccc3C(c4cccc([Si]51[N](=C(N5C(C)(C)C)c1ccccc1)C(C)(C)C)c4Oc23)(C)C)[P](C)(C)C
• 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: 11.223 ± 0.0003 Å
• b: 12.2612 ± 0.0003 Å
• c: 20.79 ± 0.0007 Å
• α: 103.26 ± 0.003°
• β: 100.102 ± 0.002°
• γ: 105.877 ± 0.002°
• Cell volume: 2590.25 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No