Information card for entry 7060485

Structure parameters

• Formula: C9 H9 N O S2
• Calculated formula: C9 H9 N O S2
• Title of publication: Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation
• Authors of publication: Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6220 - 6230
• a: 27.501 ± 0.002 Å
• b: 5.8805 ± 0.0004 Å
• c: 11.7976 ± 0.0008 Å
• α: 90°
• β: 97.085 ± 0.004°
• γ: 90°
• Cell volume: 1893.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0616
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No