Information card for entry 4124579

Structure parameters

• Chemical name: Sm{Co(CO)3(PCy3)}2(THF)6
• Formula: C72 H126 Co2 O13.5 P2 Sm
• Calculated formula: C72 H126 Co2 O13.5 P2 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: 11.1599 ± 0.0003 Å
• b: 19.0055 ± 0.0004 Å
• c: 36.8181 ± 0.0008 Å
• α: 90°
• β: 92.677 ± 0.002°
• γ: 90°
• Cell volume: 7800.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0748
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No