Information card for entry 7112268

Structure parameters

• Formula: C40.5 H49 Cl O P2 Ru S
• Calculated formula: C40.5 H49 Cl O P2 Ru S
• SMILES: [Ru]12345(Cl)([P](S[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.O1CCCC1.CCCCC
• Title of publication: A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.
• Authors of publication: Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 4707 - 4710
• a: 28.8822 ± 0.0009 Å
• b: 17.6795 ± 0.0006 Å
• c: 15.4946 ± 0.0005 Å
• α: 90°
• β: 105.449 ± 0.001°
• γ: 90°
• Cell volume: 7626 ± 0.4 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No