Information card for entry 4326977

Structure parameters

• Formula: C25 H19 F6 I N5 P Ru
• Calculated formula: C25 H19 F6 I N5 P Ru
• SMILES: I[Ru]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues
• Authors of publication: Chia-Nung Tsai; Marco M. Allard; Richard L. Lord; Dao-Wen Luo; Yuan-Jang Chen; H. Bernhard Schlegel; John F. Endicott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11965 - 11977
• a: 12.7441 ± 0.0003 Å
• b: 13.8426 ± 0.0002 Å
• c: 15.5076 ± 0.0003 Å
• α: 90°
• β: 110.069 ± 0.002°
• γ: 90°
• Cell volume: 2569.61 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No