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Information card for entry 4517478
Preview
| Coordinates | 4517478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Gross184b (Woormi) |
|---|---|
| Formula | C93 H27 F30 Fe2 N13 |
| Calculated formula | C93 H27 F30 Fe2 N13 |
| Title of publication | Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles |
| Authors of publication | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 3764 |
| a | 14.7609 ± 0.001 Å |
| b | 16.1284 ± 0.0012 Å |
| c | 20.1218 ± 0.0014 Å |
| α | 73.575 ± 0.002° |
| β | 89.177 ± 0.003° |
| γ | 66.103 ± 0.004° |
| Cell volume | 4173.5 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0841 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1564 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249199 (current) | 2020-03-10 | cif/ Adding structures of 4517478 via cif-deposit CGI script. |
4517478.cif |
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Users of the data should acknowledge the original authors of the
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