Information card for entry 4074738

Structure parameters

• Formula: C57 H56 B Cl2 N2 P Ru
• Calculated formula: C57 H56 B Cl2 N2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)CCn1c[n+](cc1)CCCC.[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: 9.8915 ± 0.0004 Å
• b: 28.6704 ± 0.0016 Å
• c: 17.3285 ± 0.0011 Å
• α: 90°
• β: 100.768 ± 0.005°
• γ: 90°
• Cell volume: 4827.7 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No