Information card for entry 7216866

Structure parameters

• Formula: C29 H29 Cl F6 N3 Ru Sb
• Calculated formula: C29 H29 Cl F6 N3 Ru Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Ru]123456([N]7=C(c8[n]1cccc8)N[C@H]([C@@H]7c1ccccc1)c1ccccc1)(Cl)[c]1([cH]6[c]5([cH]4[c]3([cH]21)C)C)C
• 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: 8.159 ± 0.003 Å
• b: 17.37 ± 0.005 Å
• c: 21.182 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002 ± 1.7 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: 0.0742
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No