Information card for entry 4038971

Structure parameters

• Formula: C24 H14 N2 O10 S3 W2
• Calculated formula: C24 H14 N2 O10 S3 W2
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(N(C)C)c1sc2sc3sc(cc3c2c1)C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(C)C
• 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: 6.5741 ± 0.0005 Å
• b: 15.1714 ± 0.001 Å
• c: 32.44 ± 0.002 Å
• α: 90°
• β: 95.543 ± 0.003°
• γ: 90°
• Cell volume: 3220.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No