Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572531
Preview
| Coordinates | 1572531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 Mo N O7 |
|---|---|
| Calculated formula | C16 H17 Mo N O7 |
| 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 | 6.93153 ± 0.0001 Å |
| b | 11.7456 ± 0.00018 Å |
| c | 20.3314 ± 0.0003 Å |
| α | 90° |
| β | 94.9309 ± 0.0013° |
| γ | 90° |
| Cell volume | 1649.15 ± 0.04 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0303 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
1572531.cif |
| 294661 | 2024-09-07 | cif/ Adding structures of 1572529, 1572530, 1572531, 1572532, 1572533 via cif-deposit CGI script. |
1572531.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.