Information card for entry 7703321

Structure parameters

• Chemical name: [(1-(4-amino-1H-κN2-pyrazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]
• Formula: C24 H25 N3 O3 Ru
• Calculated formula: C24 H25 N3 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: 11.3136 ± 0.0009 Å
• b: 23.5155 ± 0.0017 Å
• c: 17.8647 ± 0.0015 Å
• α: 90°
• β: 102.414 ± 0.003°
• γ: 90°
• Cell volume: 4641.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No