Information card for entry 4074737

Structure parameters

• Formula: C66 H70 Cl8 N6 P2 Pd Ru2
• Calculated formula: C66 H70 Cl8 N6 P2 Pd Ru2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)CCn1c([n+](cc1)C)C.N#CC.Cl[Pd](Cl)([Cl-])[Cl-].[c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)CCn1c([n+](cc1)C)C.N#CC
• Title of publication: Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis
• Authors of publication: Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 733
• a: 9.2984 ± 0.0015 Å
• b: 9.7207 ± 0.0018 Å
• c: 20.453 ± 0.003 Å
• α: 86.374 ± 0.014°
• β: 87.931 ± 0.013°
• γ: 64.96 ± 0.016°
• Cell volume: 1671.5 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No