Information card for entry 7225081

Structure parameters

• Formula: C50.23 H40.69 Cl N4 O3.62 P2 Ru
• Calculated formula: C49 H37 Cl N4 O3 P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2n(C3=C1C(=O)C(=CC3=O)n1nccc1)ccc2)C#[O]
• Title of publication: Impact of chelation on anticancer activities of organometallic ruthenium(II) complexes containing 2,5-di(1H-pyrazol-1-yl)-1,4-benzoquinone: Synthesis, structure, DNA/protein binding, antioxidant activity and cytotoxicity
• Authors of publication: Thangavel, Sathiya Kamatchi; Palaniappan, kalaivani; Fronczek, Frank R.; Natarajan, Karuppannan; Prabhakaran, Rathinasabapathi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.8966 ± 0.001 Å
• b: 13.2531 ± 0.0012 Å
• c: 13.305 ± 0.0014 Å
• α: 87.876 ± 0.005°
• β: 80.577 ± 0.006°
• γ: 70.558 ± 0.006°
• Cell volume: 2115.1 ± 0.3 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: 0.057
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No