Information card for entry 7028779

Structure parameters

• Formula: C24 H22 O6 Ru
• Calculated formula: C24 H22 O6 Ru
• SMILES: [Ru]123(Oc4c5ccccc5c5ccccc5c4O1)([O]=C(C)C=C(O2)C)OC(=CC(=[O]3)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: 7.4141 ± 0.0002 Å
• b: 8.9708 ± 0.0004 Å
• c: 16.1229 ± 0.0007 Å
• α: 79.577 ± 0.004°
• β: 84.28 ± 0.003°
• γ: 84.316 ± 0.003°
• Cell volume: 1045.79 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No