Information card for entry 4135119

Structure parameters

• Formula: C27 H33 Co N5 O6
• Calculated formula: C27 H33 Co N5 O6
• SMILES: [Co]12(ON(=O)=O)(ON(=O)=O)[n]3c(cccc3C(N2c2c(cccc2C)C)(C)C)C(N1c1c(cccc1C)C)(C)C
• Title of publication: Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co^IV-dinitrate Complex.
• Authors of publication: Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.9985 ± 0.0005 Å
• b: 19.2252 ± 0.0011 Å
• c: 17.3541 ± 0.0009 Å
• α: 90°
• β: 99.346 ± 0.002°
• γ: 90°
• Cell volume: 2633.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No