Information card for entry 7225082

Structure parameters

• Formula: C49.77 H42.31 As2 Cl N4 O3.385 Ru
• Calculated formula: C49 H37 As2 Cl N4 O3 Ru
• SMILES: [Ru]1(C2=C(n3[n]1ccc3)C(=O)C=C(n1nccc1)C2=O)(Cl)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)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: 12.9529 ± 0.0009 Å
• b: 13.5239 ± 0.001 Å
• c: 13.2161 ± 0.001 Å
• α: 88.945 ± 0.006°
• β: 81.494 ± 0.005°
• γ: 69.81 ± 0.005°
• Cell volume: 2147.6 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No