Information card for entry 4038965

Structure parameters

• Formula: C20 H18 Cr O6 S3
• Calculated formula: C20 H18 Cr O6 S3
• 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: 52.4504 ± 0.0019 Å
• b: 7.4685 ± 0.0003 Å
• c: 25.3205 ± 0.0009 Å
• α: 90°
• β: 114.77 ± 0.001°
• γ: 90°
• Cell volume: 9006.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No