Information card for entry 7709344

Structure parameters

• Formula: C208 H196 B4 Co4 N16 O8
• Calculated formula: C208 H196 B4 Co4 N16 O8
• 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: 21.6102 ± 0.0019 Å
• b: 9.4202 ± 0.0008 Å
• c: 21.831 ± 0.002 Å
• α: 90°
• β: 94.067 ± 0.002°
• γ: 90°
• Cell volume: 4433 ± 0.7 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No