Information card for entry 7028781

Structure parameters

• Formula: C24 H23 N O5 Ru
• Calculated formula: C24 H23 N O5 Ru
• SMILES: [Ru]123(Oc4c(N3)c3ccccc3c3ccccc43)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]2)C)C
• Title of publication: Varying electronic structural forms of ruthenium complexes of non-innocent 9,10-phenanthrenequinonoid ligands.
• Authors of publication: Mandal, Abhishek; Kundu, Tanaya; Ehret, Fabian; Bubrin, Martina; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2473 - 2487
• a: 16.7929 ± 0.0002 Å
• b: 14.6472 ± 0.0001 Å
• c: 19.3765 ± 0.0002 Å
• α: 90°
• β: 112.836 ± 0.001°
• γ: 90°
• Cell volume: 4392.45 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No