Information card for entry 4127415

Structure parameters

• Formula: C61.18 H55.18 B Cl2.2 Co N7.54 O
• Calculated formula: C61.1769 H55.1818 B Cl2.2022 Co N7.538 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: 14.9078 ± 0.00014 Å
• b: 9.95186 ± 0.00011 Å
• c: 37.7389 ± 0.0004 Å
• α: 90°
• β: 92.4141 ± 0.0009°
• γ: 90°
• Cell volume: 5593.99 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No