Information card for entry 1563924

Structure parameters

• Formula: C26 H24 N2 O4 Ru
• Calculated formula: C26 H24 N2 O4 Ru
• SMILES: [Ru]123([O]=C(C=C(O2)C)C)(OC(=CC(=[O]1)C)C)[NH]=C1C(=[NH]3)c2c3c4c1cccc4ccc3ccc2
• Title of publication: Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone
• Authors of publication: Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 343 - 351
• a: 19.521 ± 0.0005 Å
• b: 20.3084 ± 0.0005 Å
• c: 24.6609 ± 0.0005 Å
• α: 78.669 ± 0.002°
• β: 82.283 ± 0.002°
• γ: 65.023 ± 0.002°
• Cell volume: 8675 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No