Information card for entry 7124036

Structure parameters

• Formula: C26 H40 N2 O P2 Ru
• Calculated formula: C26 H40 N2 O P2 Ru
• Title of publication: Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis
• Authors of publication: Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.66363 ± 0.00014 Å
• b: 11.49601 ± 0.00018 Å
• c: 21.7803 ± 0.0003 Å
• α: 90°
• β: 94.7191 ± 0.0012°
• γ: 90°
• Cell volume: 2660.98 ± 0.07 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No