Information card for entry 7063517

Structure parameters

• Formula: C11 H8 O S2
• Calculated formula: C11 H8 O S2
• Title of publication: Anticorrosive performance of thiophene based inhibitor-reinforced PVB coating on mild steel; An Inclusive approach on the structural advantage of corrosion inhibitor
• Authors of publication: Purushothaman, Palani; Subramanian, Karpagam; Rehan, Mohammed K.; Sakvai, Mohammed Safiullah
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 6.0042 ± 0.0009 Å
• b: 20.645 ± 0.003 Å
• c: 8.6691 ± 0.0013 Å
• α: 90°
• β: 103.459 ± 0.005°
• γ: 90°
• Cell volume: 1045.1 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No