Information card for entry 7061884

Structure parameters

• Formula: C15 H15 Ce O9 S3
• Calculated formula: C15 H15 Ce O9 S3
• Title of publication: Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes
• Authors of publication: Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 19104 - 19111
• a: 15.0999 ± 0.0006 Å
• b: 12.1722 ± 0.0004 Å
• c: 10.8103 ± 0.0003 Å
• α: 90°
• β: 100.769 ± 0.003°
• γ: 90°
• Cell volume: 1951.93 ± 0.12 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No