Information card for entry 7017629

Structure parameters

• Formula: C48.64 H45.64 Cl1.92 N O8 P2 Ru
• Calculated formula: C48 H45 N O8 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(OC(=O)c3[n]2c(C(=O)O1)cc(O)c3)C#[O].OCC.CCO
• 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: 12.0057 ± 0.0014 Å
• b: 14.0262 ± 0.0015 Å
• c: 15.237 ± 0.002 Å
• α: 89.65 ± 0.005°
• β: 81.378 ± 0.005°
• γ: 71.638 ± 0.006°
• Cell volume: 2405.4 ± 0.5 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: 0.066
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No