Information card for entry 2233029

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexafluoridophosphate benzene hemisolvate
• Formula: C28 H23 F6 N5 O P Ru
• Calculated formula: C28 H20 F6 N5 O P Ru
• SMILES: c12cccc[n]1[Ru]13([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]3cccc1)O2.[P](F)(F)(F)(F)(F)[F-].c1ccccc1
• Title of publication: Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexafluoridophosphate benzene hemisolvate
• Authors of publication: Hamaguchi, Tomohiko; Ando, Isao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1687
• a: 21.418 ± 0.0004 Å
• b: 17.5316 ± 0.0004 Å
• c: 16.8375 ± 0.0003 Å
• α: 90°
• β: 113.387 ± 0.0007°
• γ: 90°
• Cell volume: 5802.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes