Information card for entry 7010431

Structure parameters

• Formula: C40 H35 F12 N4 O P3 Ru
• Calculated formula: C40 H35 F12 N4 O P3 Ru
• SMILES: [Ru]123([P](c4c([O]1CC)cccc4)(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ligand-assisted O-dealkylation of bis(bipyridyl) ruthenium(II) phosphine-ether complexes †
• Authors of publication: Rogers, Cerrie W.; Patrick, Brian O.; Rettig, Steven J.; Wolf, Michael O.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1278
• a: 29.844 ± 0.001 Å
• b: 10.7577 ± 0.0006 Å
• c: 26.255 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8429.2 ± 0.6 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No