Information card for entry 4133473

Structure parameters

• Formula: C36 H27 Cl0.24 F4.53 N6 O P0.76 Ru S
• Calculated formula: C36 H27 Cl0.2447 F4.5324 N6 O P0.7554 Ru S
• 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: 15.6544 ± 0.0003 Å
• b: 38.0206 ± 0.0006 Å
• c: 14.7943 ± 0.0003 Å
• α: 90°
• β: 116.312 ± 0.002°
• γ: 90°
• Cell volume: 7893.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No