Information card for entry 4313007

Structure parameters

• Common name: [Ru(bpy)~2~(Me~2~Pqn)](PF~6~)~2~.CH~2~Cl~2~
• Chemical name: Bis(2,2'-bipyridyl)(8-dimethylphosphinoquinoline)ruthenium(II) Bis(hexafluorophosphate) Dichloromethane Solvate
• Formula: C32 H30 Cl2 F12 N5 P3 Ru
• Calculated formula: C32 H30 Cl2 F12 N5 P3 Ru
• SMILES: [Ru]123([P](c4cccc5ccc[n]1c45)(C)C)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ruthenium(II) Complexes Containing 8-(Dimethylphosphino)quinoline (Me2Pqn): Preparation, Crystal Structures, and Electrochemical and Spectroscopic Properties of [Ru(bpy or phen)3-n(Me2Pqn)n](PF6)2(bpy = 2,2'-Bipyridine; phen = 1,10-Phenanthroline; n= 1, 2, or 3)
• Authors of publication: Takayoshi Suzuki; Takashi Kuchiyama; Shinobu Kishi; Sumio Kaizaki; Hideo D. Takagi; Masako Kato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 785 - 795
• a: 9.143 ± 0.007 Å
• b: 33.977 ± 0.01 Å
• c: 12.521 ± 0.008 Å
• α: 90°
• β: 98.54 ± 0.05°
• γ: 90°
• Cell volume: 3847 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1759
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No