Information card for entry 1572439

Structure parameters

• Formula: C74 H80 Co K N2 O6 P2
• Calculated formula: C74 H80 Co K N2 O6 P2
• Title of publication: Hydrogen atom abstraction as a synthetic route to a square planar CoII complex with a redox-active tetradentate PNNP ligand
• Authors of publication: Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 11.2827 ± 0.0005 Å
• b: 24.3783 ± 0.0012 Å
• c: 46.956 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12915.4 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No