Information card for entry 4340120

Structure parameters

• Chemical name: trans_Ru_trpy_Pqn_DMF_PF6
• Formula: C40 H36 Cl2 F12 N5 O P3 Ru
• Calculated formula: C40 H36 Cl2 F12 N5 O P3 Ru
• 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: 8.8914 ± 0.0011 Å
• b: 12.727 ± 0.0016 Å
• c: 38.449 ± 0.005 Å
• α: 90°
• β: 91.64 ± 0.003°
• γ: 90°
• Cell volume: 4349.1 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No