Information card for entry 7712400

Structure parameters

• Formula: C17 H13 F2 N3 S2
• Calculated formula: C17 H13 F2 N3 S2
• Title of publication: Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies
• Authors of publication: Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.2678 ± 0.0002 Å
• b: 10.3032 ± 0.0003 Å
• c: 11.8115 ± 0.0004 Å
• α: 66.05 ± 0.003°
• β: 75.68 ± 0.003°
• γ: 86.964 ± 0.002°
• Cell volume: 782.07 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0443
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No