Information card for entry 1572438

Structure parameters

• Formula: C45.44 H46.56 Co F6 N2 O0.79 P4
• Calculated formula: C45.428 H46.56 Co F6 N2 O0.783 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: 11.4936 ± 0.0005 Å
• b: 12.2636 ± 0.0005 Å
• c: 15.7199 ± 0.0007 Å
• α: 87.128 ± 0.001°
• β: 75.067 ± 0.002°
• γ: 85.597 ± 0.001°
• Cell volume: 2133.56 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• 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: Yes
• Has Fobs: No