Information card for entry 4085546

Structure parameters

• Chemical name: [(Chlorido)(1,3-dioxo-kappaO1-1H-inden-2(3H)-ylidene)(benzylamino)- methanolato-kappaO2)(eta^6^-p-cymene)ruthenium(II)]
• Formula: C27 H26 Cl N O3 Ru
• Calculated formula: C27 H26 Cl N O3 Ru
• SMILES: [Ru]123456(Cl)([O]=C7C(=C(O1)NCc1ccccc1)C(=O)c1c7cccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: 1,3-Dioxoindan-2-carboxamides as Bioactive Ligand Scaffolds for the Development of Novel Organometallic Anticancer Drugs
• Authors of publication: Mokesch, Stephan; Novak, Maria S.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 848
• a: 7.7476 ± 0.0011 Å
• b: 12.466 ± 0.002 Å
• c: 12.598 ± 0.002 Å
• α: 93.589 ± 0.009°
• β: 101.776 ± 0.007°
• γ: 102.005 ± 0.007°
• Cell volume: 1158 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No