Information card for entry 1572436

Structure parameters

• Formula: C42 H38 Co F12 N2 O P4
• Calculated formula: C42 H38 Co F12 N2 O P4
• 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: 15.4595 ± 0.0004 Å
• b: 14.3076 ± 0.0004 Å
• c: 18.6069 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4115.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• 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