Information card for entry 7039532

Structure parameters

• Formula: C56 H47 Cl5 F6 N3 O P3 Ru
• Calculated formula: C56 H47 Cl5 F6 N3 O P3 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3cccc4c3c3[n]2c(ccc3cc4)c2[n]1c(OC)ccc2.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Optimum bifunctionality in a 2-(2-pyridyl-2-ol)-1,10-phenanthroline based ruthenium complex for transfer hydrogenation of ketones and nitriles: impact of the number of 2-hydroxypyridine fragments.
• Authors of publication: Paul, Bhaskar; Chakrabarti, Kaushik; Kundu, Sabuj
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11162 - 11171
• a: 11.925 ± 0.005 Å
• b: 14.713 ± 0.005 Å
• c: 15.876 ± 0.005 Å
• α: 101.331 ± 0.005°
• β: 91.09 ± 0.005°
• γ: 100.225 ± 0.005°
• Cell volume: 2683.6 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No