Information card for entry 7126872

Structure parameters

• Common name: [Co(Me3-TPADP)(OOtBu)2](ClO4)2
• Formula: C50 H72 B Co N4 O5
• Calculated formula: C50 H72 B Co N4 O5
• Title of publication: Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.
• Authors of publication: Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 66
• Pages of publication: 9449 - 9452
• a: 12.353 ± 0.004 Å
• b: 23.359 ± 0.005 Å
• c: 16.581 ± 0.005 Å
• α: 90°
• β: 92.432 ± 0.014°
• γ: 90°
• Cell volume: 4780 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0673
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No