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Information card for entry 4349085
Preview
| Coordinates | 4349085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | PCN224Co |
|---|---|
| Formula | C24 H12 Co0.5 N2 O10.67 Zr2 |
| Calculated formula | C24 H12 Co0.5 N2 O10.6667 Zr2 |
| Title of publication | Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis |
| Authors of publication | Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 536 |
| a | 38.5873 ± 0.0013 Å |
| b | 38.5873 ± 0.0013 Å |
| c | 38.5873 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 57456 ± 3 Å3 |
| Cell temperature | 100.01 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 6 |
| Space group number | 229 |
| Hermann-Mauguin space group symbol | I m -3 m |
| Hall space group symbol | -I 4 2 3 |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.2598 |
| Weighted residual factors for all reflections included in the refinement | 0.2743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233572 (current) | 2019-11-23 | cif/ Adding structures of 4349085, 4349086 via cif-deposit CGI script. |
4349085.cif |
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