Information card for entry 4124588

Structure parameters

• Chemical name: Ca{Co(CO)3(PPh3)}2(THF)4
• Formula: C58 H58 Ca Co2 O10 P2
• Calculated formula: C58 H58 Ca Co2 O10 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: 9.6742 ± 0.0001 Å
• b: 16.876 ± 0.0001 Å
• c: 17.6975 ± 0.0001 Å
• α: 90°
• β: 105.594 ± 0.001°
• γ: 90°
• Cell volume: 2782.97 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1432
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No