Information card for entry 4339734

Structure parameters

• Formula: C39 H38 P2 Ru S
• Calculated formula: C39 H38 P2 Ru S
• SMILES: [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(SC(C)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Electron exchange involving a sulfur-stabilized ruthenium radical cation.
• Authors of publication: Shaw, Anthony P.; Ryland, Bradford L.; Norton, Jack R.; Buccella, Daniela; Moscatelli, Alberto
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5805 - 5812
• a: 12.1405 ± 0.0005 Å
• b: 20.7461 ± 0.0008 Å
• c: 14.1678 ± 0.0005 Å
• α: 90°
• β: 109.818 ± 0.001°
• γ: 90°
• Cell volume: 3357.1 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No