Information card for entry 7120715

Structure parameters

• Common name: CMB03
• Formula: C22 H24 F6 N8 O7 Ru S2
• Calculated formula: C21.999 H24 F5.997 N8 O6.997 Ru S1.999
• Title of publication: Ruthenium(ii) complexes of pyridinol and N-heterocyclic carbene derived pincers as robust catalysts for selective carbon dioxide reduction
• Authors of publication: Boudreaux, Chance M.; Liyanage, Nalaka P.; Shirley, Hunter; Siek, Sopheavy; Gerlach, Deidra L.; Qu, Fengrui; Delcamp, Jared H.; Papish, Elizabeth T.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.9326 ± 0.0014 Å
• b: 9.4243 ± 0.0017 Å
• c: 20.804 ± 0.004 Å
• α: 97.577 ± 0.002°
• β: 91.192 ± 0.002°
• γ: 93.256 ± 0.002°
• Cell volume: 1538.6 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No