Information card for entry 4515050

Structure parameters

• Formula: C25 H28 Cl2 N2 O Ru S
• Calculated formula: C25 H28 Cl2 N2 O Ru S
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6ccccc6)Nc6ccc(cc6)C)[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: 29.863 ± 0.004 Å
• b: 11.7859 ± 0.0016 Å
• c: 13.9091 ± 0.0019 Å
• α: 90°
• β: 95.522 ± 0.001°
• γ: 90°
• Cell volume: 4872.8 ± 1.1 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No