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 J.; Doyle, Rachel A.; Kariuki, Benson M.; Pridmore, Natalie E.; Sparkes, Hazel A.; Wingad, Richard L.; Wass, Duncan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 8005 - 8010
• 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