Information card for entry 7039793

Structure parameters

• Formula: C13 H12 N2 O S2
• Calculated formula: C13 H12 N2 O S2
• SMILES: S=C(NCc1ccccc1)NC(=O)c1sccc1
• 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: 6.0928 ± 0.0013 Å
• b: 8.8375 ± 0.0019 Å
• c: 12.646 ± 0.003 Å
• α: 89.795 ± 0.002°
• β: 84.279 ± 0.002°
• γ: 71.621 ± 0.002°
• Cell volume: 642.7 ± 0.2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No