Information card for entry 4133474

Structure parameters

• Formula: C28 H25 F6 N4 O P Ru S
• Calculated formula: C28 H25 F6 N4 O P Ru S
• SMILES: [Ru]123([S](C)(C)=O)(c4ccccc4c4cccc(c5cccc[n]25)[n]14)[n]1ccccc1c1cccc[n]31.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)⁺ Complex.
• Authors of publication: Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 352 - 362
• a: 16.488 ± 0.0005 Å
• b: 10.0475 ± 0.0003 Å
• c: 18.4299 ± 0.0006 Å
• α: 90°
• β: 116.276 ± 0.004°
• γ: 90°
• Cell volume: 2737.68 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No