Information card for entry 1572435

Structure parameters

• Formula: C44 H38 Co N2 P2
• Calculated formula: C44 H38 Co N2 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: 37.0504 ± 0.0012 Å
• b: 9.6501 ± 0.0004 Å
• c: 23.1185 ± 0.0008 Å
• α: 90°
• β: 123.211 ± 0.001°
• γ: 90°
• Cell volume: 6915.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• 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