Information card for entry 4130012

Structure parameters

• Formula: C37 H62 Co N6 O2
• Calculated formula: C37 H62 Co N6 O2
• Title of publication: Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical-Co(II)-Superoxide Complex with Divergent Catalytic Reactivity.
• Authors of publication: Corcos, Amanda R.; Villanueva, Omar; Walroth, Richard C.; Sharma, Savita K.; Bacsa, John; Lancaster, Kyle M.; MacBeth, Cora E.; Berry, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1796 - 1799
• a: 11.15 ± 0.005 Å
• b: 16.151 ± 0.007 Å
• c: 22.239 ± 0.01 Å
• α: 90°
• β: 104.421 ± 0.007°
• γ: 90°
• Cell volume: 3879 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No