Information card for entry 4313009

Structure parameters

• Common name: [Ru(Me~2~Pqn)~3~](PF~6~)~2~.CH~2~Cl~2~
• Chemical name: mer-Tris(8-dimethylphosphinoquinoline)ruthenium(II) Hexafluorophosphate Dichloromethane Solvate
• Formula: C34 H38 Cl2 F12 N3 P5 Ru
• Calculated formula: C34 H38 Cl2 F12 N3 P5 Ru
• SMILES: [Ru]123([P](C)(C)c4cccc5ccc[n]1c45)([P](C)(C)c1cccc4ccc[n]2c14)[P](C)(C)c1cccc2ccc[n]3c12.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: 17.811 ± 0.005 Å
• b: 18.643 ± 0.007 Å
• c: 13.382 ± 0.003 Å
• α: 98.45 ± 0.03°
• β: 105.95 ± 0.02°
• γ: 85.06 ± 0.03°
• Cell volume: 4221 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No