Information card for entry 7014064

Structure parameters

• Formula: C27 H33 F6 N2 O2 Ru Sb
• Calculated formula: C27 H33 F6 N2 O2 Ru Sb
• SMILES: [Ru]123456([N]7=C(OC[C@@H]7C(C)C)c7ccccc7O6)([c]6([cH]2[c]3([cH]4[c]5([cH]16)C)C)C)[n]1ccc(C)cc1.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.
• Authors of publication: Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1481 - 1492
• a: 10.5418 ± 0.001 Å
• b: 16.1518 ± 0.0015 Å
• c: 16.8105 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2862.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No