Information card for entry 4326610

Structure parameters

• Formula: C26 H23 F6 N6 P Ru
• Calculated formula: C26 H23 F6 N6 P Ru
• SMILES: [Ru]1([n]2c(c3c1cccc3)cc1nc3c(cccc3)cc1c2)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.738 ± 0.005 Å
• b: 27.488 ± 0.012 Å
• c: 8.524 ± 0.004 Å
• α: 90°
• β: 92.122 ± 0.005°
• γ: 90°
• Cell volume: 2748 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1195
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No