Information card for entry 7715693

Structure parameters

• Formula: C74.03 H73.39 Cl2 F0.84 N2 P4 Ru
• Calculated formula: C74.0328 H73.394 Cl2 F0.8388 N2 P4 Ru
• Title of publication: Backbone-Functionalised Ruthenium Diphosphine Complexes for Catalytic Upgrading of Ethanol and Methanol to iso-Butanol
• Authors of publication: Sama, Folasade; Doyle, Rachel; Kariuki, Benson M.; Pridmore, Natalie E.; Sparkes, Hazel Anne; Wingad, Richard Lance; Wass, Duncan
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.3517 ± 0.0003 Å
• b: 11.789 ± 0.0003 Å
• c: 14.7461 ± 0.0004 Å
• α: 86.83 ± 0.002°
• β: 82.892 ± 0.002°
• γ: 66.874 ± 0.002°
• Cell volume: 1642.19 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No