Information card for entry 7112589

Structure parameters

• Formula: C51 H56 F3 O4 P3 Ru S2
• Calculated formula: C51 H56 F3 O4 P3 Ru S2
• Title of publication: A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up
• Authors of publication: Peter E. Sues; Alan J. Lough; Robert H. Morris
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4707
• a: 11.9425 ± 0.001 Å
• b: 19.3668 ± 0.0017 Å
• c: 21.7142 ± 0.0018 Å
• α: 90°
• β: 95.243 ± 0.002°
• γ: 90°
• Cell volume: 5001.2 ± 0.7 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7112270
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No