Information card for entry 7021205

Structure parameters

• Chemical name: Pentacarbonyl(ethoxy-thiophenyl-methylidene)chromium
• Formula: C12 H8 Cr O6 S
• Calculated formula: C12 H8 Cr O6 S
• Title of publication: Electrochemical illumination of thienyl and ferrocenyl chromium(0) Fischer carbene complexes.
• Authors of publication: van der Westhuizen, Belinda; Swarts, Pieter J; Strydom, Ian; Liles, David C; Fernández, Israel; Swarts, Jannie C; Bezuidenhout, Daniela I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5367 - 5378
• a: 9.5803 ± 0.0006 Å
• b: 7.6532 ± 0.0005 Å
• c: 9.6551 ± 0.0006 Å
• α: 90°
• β: 98.737 ± 0.003°
• γ: 90°
• Cell volume: 699.7 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No