Information card for entry 7124040

Structure parameters

• Formula: C116 H172 N8 O4 P8 Ru4
• Calculated formula: C116 H172 N8 O4 P8 Ru4
• 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: 10.94363 ± 0.00016 Å
• b: 14.5049 ± 0.0002 Å
• c: 19.0279 ± 0.0003 Å
• α: 93.9991 ± 0.0012°
• β: 94.2369 ± 0.0012°
• γ: 98.3955 ± 0.0012°
• Cell volume: 2969.94 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No