Information card for entry 4074736

Structure parameters

• Formula: C54 H50 B Cl2 N2 P Ru
• Calculated formula: C54 H50 B Cl2 N2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]5[cH]4[cH]3[cH]2[cH]16)CCn1c[n+](cc1)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.045 ± 0.0017 Å
• b: 14.974 ± 0.003 Å
• c: 16.593 ± 0.004 Å
• α: 107.298 ± 0.019°
• β: 101.259 ± 0.017°
• γ: 99.948 ± 0.016°
• Cell volume: 2265 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No