Information card for entry 7039195

Structure parameters

• Formula: C22 H24 Cl N O3 Ru
• Calculated formula: C22 H24 Cl N O3 Ru
• SMILES: c12c3ccccc3c(c(CC)c1O[Ru]13456([cH]7[c]1(C)[cH]3[cH]4[c]5([cH]67)C(C)C)([N]2=O)Cl)O
• 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: 18.3763 ± 0.0006 Å
• b: 9.2791 ± 0.0003 Å
• c: 23.9785 ± 0.0008 Å
• α: 90°
• β: 98.607 ± 0.002°
• γ: 90°
• Cell volume: 4042.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No