Information card for entry 2237166

Structure parameters

• Chemical name: (η^6^-<i>p</i>-Cymene)(1,3-dimesityl-2,3-dihydro-1<i>H</i>-imidazol-2- ylidene)bis(pentafluorobenzoato-κ<i>O</i>)ruthenium(II) dichloromethane disolvate
• Formula: C47 H42 Cl4 F10 N2 O4 Ru
• Calculated formula: C47 H42 Cl4 F10 N2 O4 Ru
• SMILES: [Ru]12345(OC(=O)c6c(F)c(F)c(F)c(F)c6F)(OC(=O)c6c(F)c(F)c(F)c(F)c6F)(=C6N(C=CN6c6c(cc(cc6C)C)C)c6c(cc(cc6C)C)C)[cH]6[cH]1[c]2([cH]3[cH]4[c]56C)C(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: (η^6^-<i>p</i>-Cymene)(1,3-dimesityl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene)bis(pentafluorobenzoato-κ<i>O</i>)ruthenium(II) dichloromethane disolvate
• Authors of publication: Dorst, Konstantin; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m28
• a: 18.0951 ± 0.0011 Å
• b: 22.4608 ± 0.0014 Å
• c: 23.4293 ± 0.0014 Å
• α: 90°
• β: 104.782 ± 0.003°
• γ: 90°
• Cell volume: 9207.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes