Information card for entry 4326609

Structure parameters

• Formula: C39 H33 F6 N6 O P Ru
• Calculated formula: C39 H33 F6 N6 O P Ru
• SMILES: [Ru]123([n]4c(c5c3cccc5)cc3Nc5c(cccc5)Cc3c4)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand
• Authors of publication: Sumanta Kumar Padhi; Koji Tanaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10718 - 10723
• a: 10.327 ± 0.003 Å
• b: 21.854 ± 0.005 Å
• c: 15.447 ± 0.004 Å
• α: 90°
• β: 96.185 ± 0.003°
• γ: 90°
• Cell volume: 3465.9 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No