Information card for entry 7131280

Structure parameters

• Formula: C63 H76 Co2 N4 O12 S
• Calculated formula: C63 H76 Co2 N4 O12 S
• 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: 12.5798 ± 0.0002 Å
• b: 13.696 ± 0.0002 Å
• c: 34.2286 ± 0.0004 Å
• α: 90°
• β: 99.139 ± 0.001°
• γ: 90°
• Cell volume: 5822.48 ± 0.14 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: 0.0653
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No