Information card for entry 4340119

Structure parameters

• Chemical name: cis_Ru_trpy_Pqn_MeCN_PF6
• Formula: C39 H31 Cl3 F12 N5 P3 Ru
• Calculated formula: C39 H31 Cl3 F12 N5 P3 Ru
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Ru]5([n]12)([n]34)([n]1cccc2cccc(c12)[P]5(c1ccccc1)c1ccccc1)[N]#CC.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 8.641 ± 0.003 Å
• b: 13.06 ± 0.004 Å
• c: 20.571 ± 0.006 Å
• α: 92.619 ± 0.002°
• β: 98.711 ± 0.005°
• γ: 102.589 ± 0.006°
• Cell volume: 2232.1 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No