Information card for entry 4060501

Structure parameters

• Formula: C43 H49 Cl2 F6 O P2 Ru Sb
• Calculated formula: C42 H47 F6 O P2 Ru Sb
• SMILES: [Ru]1234567([P](c8ccccc8)(c8ccccc8)C(=C(C7(C(P(=[O]1)(c1ccccc1)c1ccccc1)C)C)C)C)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 11.2957 ± 0.0015 Å
• b: 13.4324 ± 0.0011 Å
• c: 31.891 ± 0.003 Å
• α: 90°
• β: 96.17 ± 0.013°
• γ: 90°
• Cell volume: 4810.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.071
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No