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Information card for entry 4118140
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Coordinates | 4118140.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(TpivPP)(1-EtIm)(O2)]C6H6 |
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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 | 13.155 ± 0.002 Å |
b | 13.517 ± 0.002 Å |
c | 18.249 ± 0.003 Å |
α | 89.416 ± 0.011° |
β | 88.707 ± 0.011° |
γ | 88.007 ± 0.011° |
Cell volume | 3242 ± 0.9 Å3 |
Cell temperature | 80 ± 2 K |
Ambient diffraction temperature | 80 ± 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 | 0.1379 |
Residual factor for significantly intense reflections | 0.0869 |
Weighted residual factors for significantly intense reflections | 0.2102 |
Weighted residual factors for all reflections included in the refinement | 0.2403 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118140.html
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