Information card for entry 7703319

Structure parameters

• Chemical name: [(1-(6-amino-1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]
• Formula: C28 H27 N3 O3 Ru
• Calculated formula: C28 H27 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: 10.9871 ± 0.0009 Å
• b: 9.5021 ± 0.0007 Å
• c: 27.626 ± 0.002 Å
• α: 90°
• β: 98.361 ± 0.003°
• γ: 90°
• Cell volume: 2853.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No