Information card for entry 1560039

Structure parameters

• Formula: C34 H48 N4 Ni P2
• Calculated formula: C34 H48 N4 Ni P2
• SMILES: [Ni]123[P]4(N(C(C)C)CCN4C(C)C)c4c(c5[cH]3[cH]1c(cc5)c1c([P]32N(C(C)C)CCN3C(C)C)cccc1)cccc4
• Title of publication: Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst
• Authors of publication: Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2909 - 2915
• a: 10.1955 ± 0.0003 Å
• b: 10.3773 ± 0.0003 Å
• c: 16.0898 ± 0.0006 Å
• α: 76.412 ± 0.003°
• β: 80.446 ± 0.003°
• γ: 88.451 ± 0.003°
• Cell volume: 1631.6 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No