Information card for entry 4038967

Structure parameters

• Formula: C9 H6.5 Cr0.5 N0.5 O2.5 S1.5
• Calculated formula: C9 H6.5 Cr0.5 N0.5 O2.5 S1.5
• 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: 7.4794 ± 0.0007 Å
• b: 11.9763 ± 0.0011 Å
• c: 12.1963 ± 0.0012 Å
• α: 110.742 ± 0.003°
• β: 91.017 ± 0.003°
• γ: 103.342 ± 0.003°
• Cell volume: 988.15 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No