Information card for entry 7056022

Structure parameters

• Formula: C18 H16 Cl2 N2 O Ru S2
• Calculated formula: C18 H16 Cl2 N2 O Ru S2
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6sccc6)Nc6ccccc6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• Title of publication: Synthesis of Ru(ii)‒benzene complexes containing aroylthiourea ligands, and their binding with biomolecules and in vitro cytotoxicity through apoptosis
• Authors of publication: Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Bhuvanesh, Nattamai S. P.; Emi, Nobuhiko; Karvembu, Ramasamy
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2672
• a: 11.674 ± 0.002 Å
• b: 10.818 ± 0.002 Å
• c: 15.646 ± 0.003 Å
• α: 90°
• β: 99.37 ± 0.03°
• γ: 90°
• Cell volume: 1949.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.024
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0509
• 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