Information card for entry 4127414

Structure parameters

• Formula: C60.82 H58.82 B Cl1.13 Co N7.82 O
• Calculated formula: C60.818 H58.818 B Cl1.13 Co N7.818 O
• Title of publication: Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O₂.
• Authors of publication: Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 28
• Pages of publication: 10984 - 10987
• a: 10.04169 ± 0.00013 Å
• b: 31.9979 ± 0.0003 Å
• c: 17.15695 ± 0.00014 Å
• α: 90°
• β: 98.8434 ± 0.001°
• γ: 90°
• Cell volume: 5447.22 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No