Information card for entry 7129314

Structure parameters

• Common name: (p-CF3pyridyl)2RuPc
• Chemical name: Phthalocyaninato ruthenium bis(p-trifluoromethylpyridyl)
• Formula: C44 H24 F6 N10 Ru
• Calculated formula: C44 H24 F6 N10 Ru
• SMILES: [Ru]123(n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61)([n]1ccc(cc1)C(F)(F)F)[n]1ccc(cc1)C(F)(F)F
• Title of publication: Red-light-activatable ruthenium phthalocyanine catalysts
• Authors of publication: Ishikawa, Yuta; Kameyama, Tatsuya; Torimoto, Tsukasa; Maeda, Hajime; Segi, Masahito; Furuyama, Taniyuki
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 20.1094 ± 0.0018 Å
• b: 22.559 ± 0.002 Å
• c: 10.5878 ± 0.001 Å
• α: 90°
• β: 108.37 ± 0.002°
• γ: 90°
• Cell volume: 4558.4 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No