Information card for entry 7010430

Structure parameters

• Formula: C35 H33 F12 N4 O P3 Ru
• Calculated formula: C35 H33 F12 N4 O P3 Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)CC[O]1C)([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: 13.2591 ± 0.0004 Å
• b: 14.2123 ± 0.0005 Å
• c: 19.93 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3755.7 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No