Information card for entry 4078780

Structure parameters

• Chemical name: [2,3-Di(ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](tetracarbonyl) chromium
• Formula: C17 H15 Cr N O6 S
• Calculated formula: C17 H15 Cr N O6 S
• SMILES: [Cr]1(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c2c(C=1OCC)sc1c2n(cc1)C
• 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: 7.2443 ± 0.0003 Å
• b: 18.7946 ± 0.0009 Å
• c: 20.0564 ± 0.0005 Å
• α: 85.341 ± 0.003°
• β: 89.251 ± 0.003°
• γ: 83.935 ± 0.003°
• Cell volume: 2706.47 ± 0.19 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No