Information card for entry 7017631

Structure parameters

• Formula: C45 H36 As2 Cl N2 O5 Ru
• Calculated formula: C45 H36 As2 Cl N2 O5 Ru
• SMILES: [Ru]12([As](c3ccccc3)(c3ccccc3)c3ccccc3)([As](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)OC(=O)c3[n]2c(C(=O)O1)cc(O)c3.N#CC
• Title of publication: Ruthenium(II)/(III) complexes of 4-hydroxy-pyridine-2,6-dicarboxylic acid with PPh(3)/AsPh(3) as co-ligand: Impact of oxidation state and co-ligands on anticancer activity in vitro.
• Authors of publication: Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Lee, Hyosun; Fronczek, Chris F.; Fronczek, Frank R.; Natarajan, Karuppannan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2066 - 2077
• a: 12.3411 ± 0.0014 Å
• b: 13.692 ± 0.0015 Å
• c: 14.2068 ± 0.0015 Å
• α: 82.983 ± 0.006°
• β: 69.879 ± 0.005°
• γ: 63.268 ± 0.005°
• Cell volume: 2011.6 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No