Information card for entry 7129879

Structure parameters

• Chemical name: RuC(ClO4)2
• Formula: C27 H25 Cl2 N7 O8 Ru
• Calculated formula: C27 H25 Cl2 N7 O8 Ru
• SMILES: [Ru]123([n]4c(CN5C=3N(C)C=C5)cccc4)([n]3c(cccc3)c3[n]2c(c2[n]1cccc2)ccc3)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Visible light-driven CO2 reduction with a Ru polypyridyl complex bearing an N-heterocyclic carbene moiety
• Authors of publication: Watanabe, Taito; Saga, Yutaka; Kosugi, Kento; Iwami, Hikaru; Kondo, Mio; Masaoka, Shigeyuki
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.679 ± 0.0002 Å
• b: 12.5659 ± 0.0003 Å
• c: 23.1366 ± 0.0005 Å
• α: 86.015 ± 0.002°
• β: 85.355 ± 0.002°
• γ: 68.961 ± 0.002°
• Cell volume: 2885.51 ± 0.11 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No