Information card for entry 7028780

Structure parameters

• Formula: C96 H112 N7 O14 Ru3.5
• Calculated formula: C90 H98 N7 O14 Ru3.5
• 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: 25.1917 ± 0.0004 Å
• b: 20.718 ± 0.0004 Å
• c: 36.2929 ± 0.0005 Å
• α: 90°
• β: 105.97 ± 0.002°
• γ: 90°
• Cell volume: 18211 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0859
• 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