Information card for entry 4135157

Structure parameters

• Formula: C25 H47 N P2 Zn
• Calculated formula: C25 H47 N P2 Zn
• Title of publication: Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.
• Authors of publication: Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.6779 ± 0.0003 Å
• b: 11.669 ± 0.0003 Å
• c: 11.7338 ± 0.0003 Å
• α: 84.721 ± 0.002°
• β: 79.833 ± 0.002°
• γ: 72.012 ± 0.002°
• Cell volume: 1367.64 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No