Information card for entry 4078778

Structure parameters

• Chemical name: [2-(Ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](pentacarbonyl) chromium
• Formula: C15 H11 Cr N O6 S
• Calculated formula: C15 H11 Cr N O6 S
• Title of publication: Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives
• Authors of publication: Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5371
• a: 23.6393 ± 0.0007 Å
• b: 7.5262 ± 0.0003 Å
• c: 9.187 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1634.5 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No