Information card for entry 7027851

Structure parameters

• Formula: C22 H24.5 N2 O4.25 Ru
• Calculated formula: C22 H24 N2 O4.25 Ru
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)Nc1ccccc1N3c1ccccc1.O
• Title of publication: Chemistry of ruthenium(II) complexes of N-substituted 1,2-benzoquinone diimines. Synthesis, structure and redox properties ‡
• Authors of publication: Mitra, Kedar Nath; Choudhury, Subrata; Castiñeiras, Alfonso; Goswami, Sreebrata
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 17
• Pages of publication: 2901
• a: 33.578 ± 0.009 Å
• b: 9.9224 ± 0.0015 Å
• c: 26.354 ± 0.005 Å
• α: 90°
• β: 93.114 ± 0.01°
• γ: 90°
• Cell volume: 8768 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.26
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections: 0.1573
• Weighted residual factors for significantly intense reflections: 0.1122
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No