Information card for entry 4329347

Structure parameters

• Formula: C24 H28 N2 O6 Ru
• Calculated formula: C24 H27 N2 O6 Ru
• SMILES: C1(c2ccccc2)N=[N](c2ccccc2)[Ru]23([O]=1)([O]=C(C)C=C(C)O2)OC(=CC(C)=[O]3)C.CO
• Title of publication: Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S
• Authors of publication: Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6237 - 6244
• a: 8.7692 ± 0.0004 Å
• b: 12.2019 ± 0.0008 Å
• c: 12.5343 ± 0.0009 Å
• α: 70.921 ± 0.003°
• β: 70.309 ± 0.003°
• γ: 74.557 ± 0.003°
• Cell volume: 1174.87 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No