Information card for entry 1567503

Structure parameters

• Formula: C26 H22 Cl2 N8 O8 Ru
• Calculated formula: C26 H22 Cl2 N8 O8 Ru
• SMILES: c1[n](cccc1)[Ru]123([n]4c(c5cccc([n]15)n1ccc[n]31)cccc4n1ccc[n]21)[n]1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts
• Authors of publication: Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung
• Journal of publication: Energy & Environmental Science
• Year of publication: 2022
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4259 - 4288
• a: 8.1943 ± 0.0004 Å
• b: 21.1329 ± 0.0009 Å
• c: 16.5436 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2864.8 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No