Information card for entry 7131279

Structure parameters

• Formula: C31 H35 Co N2 O3
• Calculated formula: C31 H35 Co N2 O3
• SMILES: [Co]123([N](=Cc4c(O1)c(ccc4)C(C)(C)C)c1ccccc1[N]3=Cc1cccc(c1O2)C(C)(C)C)CC(=O)C
• Title of publication: C-H bond activations by the HO˙/(Salophen^<i>t</i>-Bu)Co(II) radical pair generated <i>via</i> homolysis of a terminal Co(III)-OH bond.
• Authors of publication: Zhang, Jia; Li, Songyi; Fang, Huayi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 22
• Pages of publication: 3245 - 3248
• a: 12.3922 ± 0.0001 Å
• b: 16.0308 ± 0.0002 Å
• c: 27.8061 ± 0.0003 Å
• α: 90°
• β: 98.765 ± 0.001°
• γ: 90°
• Cell volume: 5459.36 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No