Information card for entry 4132742

Structure parameters

• Formula: C43 H45 F12 N4 O6 P3 Ru S
• Calculated formula: C43 H45 F12 N4 O6 P3 Ru S
• Title of publication: Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes.
• Authors of publication: Kosgei, Gilbert K.; Breen, Douglas J.; Lamb, Robert W.; Livshits, Maksim Y.; Crandall, Laura A.; Ziegler, Christopher J.; Webster, Charles Edwin; Rack, Jeffrey J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 31
• Pages of publication: 9819 - 9822
• a: 12.871 ± 0.0006 Å
• b: 27.8262 ± 0.0013 Å
• c: 13.7151 ± 0.0006 Å
• α: 90°
• β: 108.04 ± 0.002°
• γ: 90°
• Cell volume: 4670.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No