Information card for entry 7703315

Structure parameters

• Chemical name: [(3-Methyl-4-oxo-(1H-κN2-pyrazol-1-yl)-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)ruthenium(II)]
• Formula: C27 H32 N2 O5 Ru
• Calculated formula: C27 H32 N2 O5 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: 32.8559 ± 0.0011 Å
• b: 8.4989 ± 0.0004 Å
• c: 18.2283 ± 0.0007 Å
• α: 90°
• β: 96.996 ± 0.0017°
• γ: 90°
• Cell volume: 5052.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0658
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No