Information card for entry 4038970

Structure parameters

• Formula: C16 H9 N O5 S3 W
• Calculated formula: C16 H9 N O5 S3 W
• Title of publication: Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes
• Authors of publication: Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.
• Journal of publication: Journal of Organometallic Chemistry
• Year of publication: 2020
• Journal volume: 925
• Pages of publication: 121466
• a: 19.5378 ± 0.0006 Å
• b: 6.4155 ± 0.0002 Å
• c: 15.0044 ± 0.0004 Å
• α: 90°
• β: 99.372 ± 0.003°
• γ: 90°
• Cell volume: 1855.62 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No