Information card for entry 7708063

Structure parameters

• Formula: C34 H41 Ce N13 O20 Ru
• Calculated formula: C32 H38 Ce N12 O20 Ru
• SMILES: [Ru]123(OC(c4[n]2c(ccc4)c2[n]3c(ccc2)C(O1)(C)C)(C)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[Ce]123456([O]=N(=O)O1)(ON(=[O]2)=O)([O]=N(=O)O3)(ON(=[O]4)=O)(ON(=[O]5)=O)[O]=N(=O)O6.N#CC.N#CC
• Title of publication: Catalytic water oxidation by an <i>in situ</i> generated ruthenium nitrosyl complex bearing a bipyridine-bis(alkoxide) ligand.
• Authors of publication: Liu, Yingying; Ng, Siu-Mui; Yiu, Shek-Man; Lau, Tai-Chu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12316 - 12323
• a: 11.4188 ± 0.0004 Å
• b: 12.673 ± 0.0004 Å
• c: 16.9821 ± 0.0005 Å
• α: 88.005 ± 0.002°
• β: 89.737 ± 0.003°
• γ: 71.8 ± 0.003°
• Cell volume: 2333.08 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.14 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: 0.0387
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No