Information card for entry 4135120

Structure parameters

• Formula: C27.5 H34 Cl Co N4 O3
• Calculated formula: C27.5 H34 Cl Co N4 O3
• 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: 36.2527 ± 0.0018 Å
• b: 10.9071 ± 0.0005 Å
• c: 30.0533 ± 0.0015 Å
• α: 90°
• β: 116.434 ± 0.001°
• γ: 90°
• Cell volume: 10641 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No