Information card for entry 7044084

Structure parameters

• Formula: C23 H26 Cl2 N2 O2 Ru S
• Calculated formula: C23 H26 Cl2 N2 O2 Ru S
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6ccccc6)NCc6occc6)[c]6(C(C)C)[cH]1[cH]2[c]3([cH]4[cH]56)C
• Title of publication: Ru(II)-arene acylthioureas complexes: DNA/HSA-binding, anti-migration and cell death in a triple negative breast tumor cell line
• Authors of publication: Colina-Vegas, Legna; Luna, Liany; Plutin, Ana; Castellano, Eduardo; Cominetti, Marcia Regina; Batista, Alzir A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.8652 ± 0.0002 Å
• b: 10.1852 ± 0.0002 Å
• c: 12.2154 ± 0.0003 Å
• α: 82.88 ± 0.001°
• β: 86.473 ± 0.001°
• γ: 77.785 ± 0.001°
• Cell volume: 1189.57 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No