Information card for entry 4071449

Structure parameters

• Chemical name: ((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(η^6^-tricarbonylchromium- benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-chromium dichloromethane solvate
• Formula: C28 H17 Cl3 Cr2 O9 S Ti
• Calculated formula: C28 H17 Cl3 Cr2 O9 S Ti
• Title of publication: Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium
• Authors of publication: Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2447
• a: 11.26 ± 0.002 Å
• b: 12.083 ± 0.002 Å
• c: 23.804 ± 0.004 Å
• α: 90°
• β: 101.009 ± 0.003°
• γ: 90°
• Cell volume: 3179 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No