Information card for entry 7132014

Structure parameters

• Formula: C118 H401 Cl2 N11 O191 P4 Ru2 W17
• Calculated formula: C92.605 H109.489 Cl2 N15.721 O63.5005 P3.887 Ru2 W16.9435
• Title of publication: Selective Electrochemical CO2 Conversion with a Hybrid Polyoxometalate
• Authors of publication: Kuramochi, Satoshi; Cameron, Jamie; Fukui, Tomoya; Jones, Kieran D.; Argent, Stephen; Kusaka, Shinpei; Shiraishi, Ryo; Tamaki, Yusuke; Yatsu, Taiki; Shiga, Takuya; Ishitani, Osamu; Oshio, Hiroki; Newton, Graham
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 21.8379 ± 0.0006 Å
• b: 22.3937 ± 0.0006 Å
• c: 26.6266 ± 0.0007 Å
• α: 80.38 ± 0.002°
• β: 82.354 ± 0.002°
• γ: 79.212 ± 0.002°
• Cell volume: 12541.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No