Information card for entry 7110731

Structure parameters

• Formula: C20 H26 Br F6 N2 O Ru Sb
• Calculated formula: C20 H26 Br F6 N2 O Ru Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Ru]123456(Br)([N]7[C@@H](C(C)C)COC=7c7[n]1cccc7)[c]1([cH]6[c]5([cH]4[c]3([cH]21)C)C)C
• Title of publication: Kinetic control of stereoselectivity of halide substitution in arene ruthenium pyridyloxazoline complexes; a rare case of net inversion†
• Authors of publication: Davenport, Adam J.; Davies, David L.; Fawcett, John; Garratt, Shaun A.; Russell, David R.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2331
• a: 7.703 ± 0.0007 Å
• b: 12.0995 ± 0.0017 Å
• c: 27.223 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2537.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No