Information card for entry 7124041

Structure parameters

• Formula: C26 H41 Cl N2 O P2 Ru
• Calculated formula: C26 H41 Cl 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: 16.4591 ± 0.00011 Å
• b: 8.0465 ± 0.00005 Å
• c: 22.02981 ± 0.00018 Å
• α: 90°
• β: 108.89 ± 0.0008°
• γ: 90°
• Cell volume: 2760.44 ± 0.04 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No