Information card for entry 4118136

Structure parameters

• Common name: [Co(TpivPP)(1-EtIm)(O2)]C6H6
• Formula: C75 H78 Co N10 O6
• Calculated formula: C75 H78 Co N10 O6
• Title of publication: Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins
• Authors of publication: Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10595 - 10606
• a: 13.0971 ± 0.0009 Å
• b: 13.5557 ± 0.0009 Å
• c: 18.2431 ± 0.0012 Å
• α: 89.216 ± 0.004°
• β: 88.444 ± 0.003°
• γ: 88.19 ± 0.003°
• Cell volume: 3235.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No