Information card for entry 4340123

Structure parameters

• Chemical name: Ru_trpy_dppbz_MeCN_PF6
• Formula: C48 H40 Cl2 F12 N4 P4 Ru
• Calculated formula: C48 H40 Cl2 F12 N4 P4 Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4c([P]1(c1ccccc1)c1ccccc1)cccc4)c1ccccc1)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.
• Authors of publication: Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7214 - 7226
• a: 13.2623 ± 0.0011 Å
• b: 22.7489 ± 0.0019 Å
• c: 32.187 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9710.9 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No