Information card for entry 4124593

Structure parameters

• Chemical name: K{Co(CO)3(PCy3)}(THF)2
• Formula: C29 H49 Co K O5 P
• Calculated formula: C29 H49 Co K O5 P
• Title of publication: Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.
• Authors of publication: Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12352 - 12368
• a: 9.9127 ± 0.0002 Å
• b: 18.3725 ± 0.0003 Å
• c: 33.7192 ± 0.0009 Å
• α: 90°
• β: 95.607 ± 0.002°
• γ: 90°
• Cell volume: 6111.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0629
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No