Information card for entry 7045278

Structure parameters

• Chemical name: [(?6-Ethyl 2-acetamido-3-phenylpropanoate)RuIICl2]2
• Formula: C26 H34 Cl4 N2 O6 Ru2
• Calculated formula: C26 H34 Cl4 N2 O6 Ru2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Ru]123456([Cl][Ru]23456([c]7([cH]6[cH]5[cH]4[cH]3[cH]27)C[C@@H](C(=O)OCC)NC(=O)C)(Cl)[Cl]1)Cl)C[C@@H](C(=O)OCC)NC(=O)C
• Title of publication: Making organoruthenium complexes of 8-hydroxyquinolines more hydrophilic: impact of a novel l-phenylalanine-derived arene ligand on the biological activity.
• Authors of publication: Movassaghi, Sanam; Hanif, Muhammad; Holtkamp, Hannah U.; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2192 - 2201
• a: 9.7994 ± 0.0004 Å
• b: 10.2685 ± 0.0004 Å
• c: 15.0143 ± 0.0005 Å
• α: 90°
• β: 94.369 ± 0.002°
• γ: 90°
• Cell volume: 1506.43 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No