Information card for entry 7016079

Structure parameters

• Common name: (Ethoxy-(benzo(b)thien-2-yl)-methylidene)-(pentacarbonyl)- tungsten
• Chemical name: (Ethoxy-(benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-tungsten
• Formula: C16 H10 O6 S W
• Calculated formula: C16 H10 O6 S W
• Title of publication: Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.
• Authors of publication: Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6711 - 6721
• a: 9.3964 ± 0.0006 Å
• b: 7.743 ± 0.0005 Å
• c: 12.5316 ± 0.0007 Å
• α: 90°
• β: 104.757 ± 0.001°
• γ: 90°
• Cell volume: 881.68 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No