Information card for entry 4071528

Structure parameters

• Chemical name: 1,6-Bis{chloro[3-(oxo-kappaO)-2-methyl-4-pyridinonato-kappaO4](eta^6^- p-isopropyltoluene)ruthenium}hexane chloroform solvate
• Formula: C40 H52 Cl8 N2 O4 Ru2
• Calculated formula: C40 H52 Cl8 N2 O4 Ru2
• SMILES: c12c(C)[n+](ccc2O[Ru]23456(O1)([cH]1[c]5([cH]6[cH]4[c]3([cH]21)C(C)C)C)Cl)CCCCCC[n+]1c(c2c(cc1)O[Ru]13456(O2)([c]2([cH]1[cH]3[c]4([cH]5[cH]62)C(C)C)C)Cl)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Influence of the Spacer Length on thein VitroAnticancer Activity of Dinuclear Ruthenium−Arene Compounds
• Authors of publication: Mendoza-Ferri, Maria-Grazia; Hartinger, Christian G.; Eichinger, Rene E.; Stolyarova, Natalya; Severin, Kay; Jakupec, Michael A.; Nazarov, Alexey A.; Keppler, Bernhard K.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2405
• a: 9.7494 ± 0.0013 Å
• b: 10.9847 ± 0.0012 Å
• c: 11.4996 ± 0.0014 Å
• α: 69.527 ± 0.008°
• β: 83.3 ± 0.01°
• γ: 88.409 ± 0.008°
• Cell volume: 1145.8 ± 0.3 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: 0.0697
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No