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Information card for entry 1566367
Preview
| Coordinates | 1566367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C152 H197 Cl8 D24 Fe4 N27 O48 |
|---|---|
| Calculated formula | C152 H197 Cl8 D24 Fe4 N27 O48 |
| Title of publication | Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. |
| Authors of publication | Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence |
| Journal of publication | Faraday discussions |
| Year of publication | 2022 |
| Journal volume | 234 |
| Journal issue | 0 |
| Pages of publication | 109 - 128 |
| a | 14.2183 ± 0.0009 Å |
| b | 15.72 ± 0.001 Å |
| c | 21.5627 ± 0.0013 Å |
| α | 86.579 ± 0.004° |
| β | 71.452 ± 0.004° |
| γ | 72.753 ± 0.004° |
| Cell volume | 4360.5 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1626 |
| Residual factor for significantly intense reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.222 |
| Weighted residual factors for all reflections included in the refinement | 0.2686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275782 (current) | 2022-06-06 | cif/ Updating files of 1566366, 1566367, 1566368 Original log message: Adding full bibliography for 1566366--1566368.cif. |
1566367.cif |
| 272997 | 2022-02-17 | cif/ Adding structures of 1566366, 1566367, 1566368 via cif-deposit CGI script. |
1566367.cif |
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Users of the data should acknowledge the original authors of the
structural data.