Information card for entry 4124575

Structure parameters

• Chemical name: [Ca{Co(CO)3(PCy3)}2(THF)2]2
• Formula: C50 H80 Ca Co2 O8 P2
• Calculated formula: C50 H80 Ca Co2 O8 P2
• 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: 12.6954 ± 0.0007 Å
• b: 14.17 ± 0.0012 Å
• c: 15.6381 ± 0.001 Å
• α: 66.744 ± 0.007°
• β: 89.34 ± 0.005°
• γ: 89.105 ± 0.005°
• Cell volume: 2584.3 ± 0.3 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: 0.1147
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1634
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No