Information card for entry 4124580

Structure parameters

• Chemical name: Sm{Co(CO)3(PCy3)}3(THF)3
• Formula: C76.5 H127.5 Co3 O12 P3 Sm
• Calculated formula: C76.5 H127.5 Co3 O12 P3 Sm
• 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: 20.6944 ± 0.0006 Å
• b: 11.09 ± 0.0003 Å
• c: 36.5676 ± 0.0009 Å
• α: 90°
• β: 103.123 ± 0.003°
• γ: 90°
• Cell volume: 8173.1 ± 0.4 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: 0.1657
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0131
• Weighted residual factors for all reflections included in the refinement: 0.0129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No