Information card for entry 4110554

Structure parameters

• Formula: C29 H36 Cl2 N7 O9 Ru
• Calculated formula: C29 H36 Cl2 N7 O9 Ru
• SMILES: [Ru]123([OH2])(=C4N(C=CN4c4[n]1c(N1C=CN(C=31)CCCC)ccc4)CCCC)[n]1ccccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?
• Authors of publication: Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 5306 - 5307
• a: 11.079 ± 0.0005 Å
• b: 12.0148 ± 0.0005 Å
• c: 14.8266 ± 0.0007 Å
• α: 85.691 ± 0.002°
• β: 70.108 ± 0.002°
• γ: 66.546 ± 0.002°
• Cell volume: 1698.35 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.1287
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No