Information card for entry 7107661

Structure parameters

• Chemical name: Chlorido[3-(oxo-kappaO)-2-(4-methylphenyl)-chromen-4(1H)- onato-kappaO](hapto^6^-p-cymene)ruthenium(II)
• Formula: C27 H29 Cl O4 Ru
• Calculated formula: C27 H29 Cl O4 Ru
• SMILES: [Ru]123456(Cl)(OC7=C(Oc8c(C7=[O]1)cccc8)c1ccc(cc1)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.OC
• Title of publication: Targeting the DNA-topoisomerase complex in a double-strike approach with a topoisomerase inhibiting moiety and covalent DNA binder
• Authors of publication: Andrea Kurzwernhart; Wolfgang Kandioller; Caroline Bartel; Simone Baechler; Robert Trondl; Gerhard Muehlgassner; Michael A. Jakupec; Vladimir B. Arion; Doris Marko; Bernhard K. Keppler; Christian G. Hartinger
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4839
• a: 7.8882 ± 0.0005 Å
• b: 11.969 ± 0.0009 Å
• c: 13.5794 ± 0.0011 Å
• α: 74.879 ± 0.005°
• β: 73.366 ± 0.004°
• γ: 89.101 ± 0.004°
• Cell volume: 1183.49 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No