Information card for entry 4316408

Structure parameters

• Chemical name: Chlorido-(hapta^6^-p-cymene)-{N-[(methoxycarbonyl)methyl]- -3-hydroxy-2-(1H)-pyridone-ruthenium(II)
• Formula: C18 H22 Cl N O4 Ru
• Calculated formula: C18 H22 Cl N O4 Ru
• SMILES: [Ru]123456(Cl)(Oc7c(=[O]1)n(ccc7)CC(=O)OC)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Is the Reactivity of M(II)-Arene Complexes of 3-Hydroxy-2(1H)-pyridones to Biomolecules the Anticancer Activity Determining Parameter?
• Authors of publication: Muhammad Hanif; Helena Henke; Samuel M. Meier; Sanela Martic; Mahmoud Labib; Wolfgang Kandioller; Michael A. Jakupec; Vladimir B. Arion; Heinz-Bernhard Kraatz; Bernhard K. Keppler; Christian G. Hartinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7953 - 7963
• a: 9.4338 ± 0.0004 Å
• b: 10.0892 ± 0.0004 Å
• c: 10.2654 ± 0.0005 Å
• α: 79.995 ± 0.003°
• β: 85.337 ± 0.003°
• γ: 73.545 ± 0.002°
• Cell volume: 922.26 ± 0.07 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: 0.0546
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No