Information card for entry 4328527

Structure parameters

• Formula: C21 H29 Cl O5 Ru S3
• Calculated formula: C21 H29 Cl O5 Ru S3
• SMILES: [Ru]1([S](=O)(C)C)([S](=O)(C)C)(Cl)([S](=O)(C)C)Oc2c(cccc2)C(=[O]1)/C=C/c1ccccc1
• Title of publication: Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity
• Authors of publication: Ruchi Gaur; Lallan Mishra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3059 - 3070
• a: 8.32 ± 0.0004 Å
• b: 12.4615 ± 0.0009 Å
• c: 12.9858 ± 0.001 Å
• α: 107.394 ± 0.007°
• β: 103.27 ± 0.005°
• γ: 94.901 ± 0.005°
• Cell volume: 1233.17 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No