Information card for entry 7036874

Structure parameters

• Chemical name: 2-(Ethoxy-(pentacarbonyl-tungsten)-carbene)-4,6-diethoxy-5,5,5,5-tetracarbonyl-5-tungsta-cyclopenta[b]thieno[3,2-d]thiophene hemidichloromethane
• Formula: C24.5 H17 Cl O12 S2 W2
• Calculated formula: C24.5 H16 Cl O12 S2 W2
• Title of publication: Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.
• Authors of publication: Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19218 - 19231
• a: 26.7813 ± 0.0012 Å
• b: 26.7813 ± 0.0012 Å
• c: 17.3239 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12425.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No