Information card for entry 4515047

Structure parameters

• Formula: C18 H12 Cl2 N2 O S
• Calculated formula: C18 H12 Cl2 N2 O S
• SMILES: Clc1c(C(=O)NC(=S)Nc2c3c(ccc2)cccc3)ccc(Cl)c1
• 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: 7.331 ± 0.002 Å
• b: 8.111 ± 0.002 Å
• c: 14.229 ± 0.004 Å
• α: 92.899 ± 0.003°
• β: 101.046 ± 0.003°
• γ: 105.36 ± 0.003°
• Cell volume: 796.1 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No