Information card for entry 1567504

Structure parameters

• Formula: C24 H24 Cl2 N10 O8 Ru
• Calculated formula: C24 H24 Cl2 N10 O8 Ru
• SMILES: c12cccc3[n]2[Ru]2([n]4n1ccc4)([n]1cccn1c1cccc3[n]21)([n]1cn(cc1)C)[n]1cn(cc1)C.[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: 17.8962 ± 0.0005 Å
• b: 10.2796 ± 0.0003 Å
• c: 15.9597 ± 0.0005 Å
• α: 90°
• β: 90.899 ± 0.001°
• γ: 90°
• Cell volume: 2935.68 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No