Information card for entry 7216867

Structure parameters

• Formula: C30 H31 Cl F6 N3 Ru Sb
• Calculated formula: C30 H31 Cl F6 N3 Ru Sb
• SMILES: [Ru]123456(Cl)([n]7ccccc7C7=[N]1[C@H]([C@@H](N7C)c1ccccc1)c1ccccc1)[c]1([cH]2[c]3([cH]4[c]5([cH]61)C)C)C.[Sb](F)(F)(F)([F-])(F)F
• Title of publication: Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis
• Authors of publication: Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1500
• a: 8.566 ± 0.003 Å
• b: 17.569 ± 0.008 Å
• c: 20.345 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3061.8 ± 1.9 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No