Information card for entry 4313191

Structure parameters

• Formula: C29 H22 F6 N5 O P Ru
• Calculated formula: C29 H22 F6 N5 O P Ru
• SMILES: [Ru]123(Oc4c5[n]3cccc5ccc4)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enantiospecific Synthesis of Δ and Λ [Ru(bpy)2ppy]+ and [Ru(bpy)2quo]+ (bpy = 2,2'-Bipyridine, ppy = Phenylpyridine-H+, quo = 8-Hydroxyquinolate): 1H and 13C NMR Studies and X-ray Structure Determination of rac-[Ru(bpy)2quo]PF6
• Authors of publication: Muriel Brissard; Odile Convert; Michel Gruselle; Carine Guyard-Duhayon; René Thouvenot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1378 - 1385
• a: 22.079 ± 0.011 Å
• b: 16.874 ± 0.003 Å
• c: 17.533 ± 0.008 Å
• α: 90°
• β: 109.08 ± 0.03°
• γ: 90°
• Cell volume: 6173 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No