Information card for entry 7039794

Structure parameters

• Formula: C22 H24 Cl2 N2 O Ru S2
• Calculated formula: C22 H24 Cl2 N2 O Ru S2
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6sccc6)Nc6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)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: 10.611 ± 0.003 Å
• b: 12.309 ± 0.004 Å
• c: 18.406 ± 0.006 Å
• α: 90°
• β: 100.816 ± 0.003°
• γ: 90°
• Cell volume: 2361.3 ± 1.3 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No