Information card for entry 7010146

Structure parameters

• Formula: C24 H24 Cl F6 N2 O Ru Sb
• Calculated formula: C24 H24 Cl F6 N2 O Ru Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Ru]123456(Cl)([N]7[C@@H]8c9c(C[C@@H]8OC=7c7[n]1cccc7)cccc9)[c]1([cH]2[c]3([cH]4[c]5([cH]61)C)C)C
• Title of publication: Arene ruthenium complexes with pyridyloxazolines: synthesis and applications as asymmetric catalysts for Diels‒Alder reactions †
• Authors of publication: Davenport, Adam J.; Davies, David L.; Fawcett, John; Garratt, Shaun A.; Russell, David R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4432
• a: 11.524 ± 0.003 Å
• b: 11.672 ± 0.002 Å
• c: 19.208 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2583.6 ± 1.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 8
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.1035
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No