Information card for entry 4118138

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: 18.5681 ± 0.0007 Å
• b: 19.2564 ± 0.0008 Å
• c: 18.4497 ± 0.0007 Å
• α: 90°
• β: 90.169 ± 0.002°
• γ: 90°
• Cell volume: 6596.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0911
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No