Information card for entry 7009558

Structure parameters

• Formula: C47 H37 Cl11 P2 Ru S2
• Calculated formula: C47 H37 Cl11 P2 Ru S2
• SMILES: [Ru]12([P](c3c(c4ccc[s]14)cccc3)(c1ccccc1)c1ccccc1)([P](c1c(c3ccc[s]23)cccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Synthesis and reactivity of ruthenium(II) complexes containing hemilabile phosphine‒thiophene ligands
• Authors of publication: Clot, Olivier; Wolf, Michael O.; Yap, Glenn P. A.; Patrick, Brian O.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2729
• a: 11.1896 ± 0.0008 Å
• b: 19.063 ± 0.001 Å
• c: 23.732 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5062.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No