Information card for entry 7709346

Structure parameters

• Formula: C54 H53 B Co N4 O3
• Calculated formula: C54 H53 B Co N4 O3
• Title of publication: Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes
• Authors of publication: Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.211 ± 0.002 Å
• b: 14.094 ± 0.003 Å
• c: 14.988 ± 0.003 Å
• α: 86.897 ± 0.004°
• β: 88.338 ± 0.004°
• γ: 70.768 ± 0.004°
• Cell volume: 2232.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No