Information card for entry 4515051

Structure parameters

• Formula: C24 H24 Cl4 N2 O Ru S
• Calculated formula: C24 H24 Cl4 N2 O Ru S
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6ccc(Cl)cc6Cl)Nc6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
• Title of publication: Synthesis and Anticancer Activity of [RuCl₂(η⁶-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.
• Authors of publication: Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 6245 - 6256
• a: 9.5 ± 0.003 Å
• b: 10.392 ± 0.004 Å
• c: 12.824 ± 0.004 Å
• α: 83.576 ± 0.003°
• β: 89.925 ± 0.003°
• γ: 83.78 ± 0.004°
• Cell volume: 1250.6 ± 0.7 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 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: 0.0281
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No