Information card for entry 4515048

Structure parameters

• Formula: C20 H16 Cl4 N2 O Ru S
• Calculated formula: C20 H16 Cl4 N2 O Ru S
• SMILES: [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6ccc(Cl)cc6Cl)Nc6ccccc6)[cH]6[cH]1[cH]3[cH]2[cH]5[cH]46
• 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: 39.025 ± 0.002 Å
• b: 6.8024 ± 0.0004 Å
• c: 17.5294 ± 0.0009 Å
• α: 90°
• β: 115.896 ± 0.002°
• γ: 90°
• Cell volume: 4186.2 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0543
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No