Information card for entry 7715692

Structure parameters

• Formula: C70 H90 Cl2 N2 O6 P4 Ru Si2
• Calculated formula: C70 H90 Cl2 N2 O6 P4 Ru Si2
• 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: 13.1386 ± 0.0003 Å
• b: 10.9694 ± 0.0003 Å
• c: 23.2017 ± 0.0006 Å
• α: 90°
• β: 92.5001 ± 0.0015°
• γ: 90°
• Cell volume: 3340.71 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0371
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No