Information card for entry 4060497

Structure parameters

• Formula: C48 H54 Cl7 F6 P2 Ru Sb
• Calculated formula: C46 H52 Cl F6.014 P2 Ru Sb
• Title of publication: Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes
• Authors of publication: Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2633 - 2644
• a: 10.1035 ± 0.0005 Å
• b: 28.61 ± 0.005 Å
• c: 18.303 ± 0.005 Å
• α: 90°
• β: 97.25 ± 0.006°
• γ: 90°
• Cell volume: 5248.4 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No