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Information card for entry 4132141
Preview
| Coordinates | 4132141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90.6 H68.17 Cl4.26 F6 Fe4 N12 O10.62 S2 |
|---|---|
| Calculated formula | C90.601 H68.17 Cl4.266 F6 Fe4 N12 O10.617 S2 |
| Title of publication | A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters. |
| Authors of publication | Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 16 |
| Pages of publication | 5569 - 5578 |
| a | 15.486 ± 0.002 Å |
| b | 15.4964 ± 0.0018 Å |
| c | 19.448 ± 0.002 Å |
| α | 100.128 ± 0.002° |
| β | 93.878 ± 0.004° |
| γ | 93.078 ± 0.003° |
| Cell volume | 4573.6 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1245 |
| Residual factor for significantly intense reflections | 0.0807 |
| Weighted residual factors for significantly intense reflections | 0.2239 |
| Weighted residual factors for all reflections included in the refinement | 0.2577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242181 (current) | 2019-11-26 | cif/ Adding structures of 4132139, 4132140, 4132141, 4132142, 4132143, 4132144 via cif-deposit CGI script. |
4132141.cif |
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Users of the data should acknowledge the original authors of the
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