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Information card for entry 1572530
Preview
| Coordinates | 1572530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 Mo N O6 S2 |
|---|---|
| Calculated formula | C17 H21 Mo N O6 S2 |
| Title of publication | Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes. |
| Authors of publication | Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 39 |
| Pages of publication | 16186 - 16195 |
| a | 12.514 ± 0.00014 Å |
| b | 6.72111 ± 0.00008 Å |
| c | 23.5861 ± 0.0003 Å |
| α | 90° |
| β | 93.9945 ± 0.0011° |
| γ | 90° |
| Cell volume | 1978.96 ± 0.04 Å3 |
| Cell temperature | 109.95 ± 0.1 K |
| Ambient diffraction temperature | 109.95 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296400 (current) | 2024-12-06 | cif/ Updating files of 1572529, 1572530, 1572531, 1572532, 1572533 Original log message: Adding full bibliography for 1572529--1572533.cif. |
1572530.cif |
| 294661 | 2024-09-07 | cif/ Adding structures of 1572529, 1572530, 1572531, 1572532, 1572533 via cif-deposit CGI script. |
1572530.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.