Information card for entry 4124574

Structure parameters

• Chemical name: Mg{Co(CO)3(PCy3)}2(THF)
• Formula: C92 H142.4 Co4 Mg2 O14 P4
• Calculated formula: C92 H142.4 Co4 Mg2 O14 P4
• 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: 10.8413 ± 0.0002 Å
• b: 14.876 ± 0.0005 Å
• c: 16.7804 ± 0.0006 Å
• α: 65.548 ± 0.003°
• β: 79.915 ± 0.002°
• γ: 83.476 ± 0.002°
• Cell volume: 2422.91 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0462
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0708
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No