Information card for entry 7115230

Structure parameters

• Formula: C34 H31 F12 N7 O0 P2 Ru
• Calculated formula: C34 H31 F12 N7 P2 Ru
• SMILES: [Ru]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1ccc(cc1c1cc(cc[n]31)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Conversion of a new chiral reagent Δ-[Ru(bpy)2 (dmso)Cl]PF6 to Δ-[Ru(bpy)2(dmbpy)]PF6Cl with 96.8% retention of chirality (dmbpy = 4,4′-dimethyl-2,2′-bipyridine)
• Authors of publication: Hesek, Dusan; Inoue, Yoshihisa; Everitt, Simon R. L.; Ishida, Hitoshi; Kunieda, Mieko; Drew, Michael G. B.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 403
• a: 13.731 ± 0.011 Å
• b: 20.496 ± 0.009 Å
• c: 13.521 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3805 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No