Information card for entry 7039796

Structure parameters

• Formula: C26 H26 Cl2 N2 O Ru S2
• Calculated formula: C26 H26 Cl2 N2 O Ru S2
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6sccc6)Nc6c7ccccc7ccc6)[cH]6[c]4([cH]3[cH]1[c]5([cH]26)C(C)C)C
• Title of publication: Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.
• Authors of publication: Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12518 - 12531
• a: 10.628 ± 0.002 Å
• b: 20.991 ± 0.004 Å
• c: 12.334 ± 0.002 Å
• α: 90°
• β: 107.72 ± 0.002°
• γ: 90°
• Cell volume: 2621.1 ± 0.8 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No