Information card for entry 7703316

Structure parameters

• Chemical name: 3-methyl-1-(4-methyl-1H-κN2-pyrazol-1-yl)-4-oxo-1,4-dihydronaphthalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)ruthenium(II)
• Formula: C25 H26 N2 O3 Ru
• Calculated formula: C25 H26 N2 O3 Ru
• Title of publication: Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.
• Authors of publication: Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1393 - 1397
• a: 9.6758 ± 0.0002 Å
• b: 14.2466 ± 0.0003 Å
• c: 17.8729 ± 0.0004 Å
• α: 71.6959 ± 0.0013°
• β: 84.0849 ± 0.0014°
• γ: 72.7405 ± 0.0013°
• Cell volume: 2233.61 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.073
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No