Information card for entry 7039194

Structure parameters

• Formula: C22 H23 Cl O3 Ru
• Calculated formula: C22 H23 Cl O3 Ru
• SMILES: C12C(c3c(C(=O)C=1CC)cccc3)=[O][Ru]13456([cH]7[cH]1[c]3(C)[cH]4[cH]5[c]67C(C)C)(O2)Cl
• Title of publication: Towards targeting anticancer drugs: ruthenium(ii)-arene complexes with biologically active naphthoquinone-derived ligand systems.
• Authors of publication: Kubanik, Mario; Kandioller, Wolfgang; Kim, Kunwoo; Anderson, Robert F.; Klapproth, Erik; Jakupec, Michael A.; Roller, Alexander; Söhnel, Tilo; Keppler, Bernhard K.; Hartinger, Christian G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 13091 - 13103
• a: 15.5644 ± 0.0008 Å
• b: 7.9491 ± 0.0004 Å
• c: 15.7175 ± 0.0008 Å
• α: 90°
• β: 100.11 ± 0.002°
• γ: 90°
• Cell volume: 1914.42 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0272
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No