Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1570276
Preview
| Coordinates | 1570276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 F6 Mn N5 O7 S2 |
|---|---|
| Calculated formula | C19 H15 F6 Mn N5 O7 S2 |
| Title of publication | Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation. |
| Authors of publication | Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E. |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 7221 |
| a | 8.0555 ± 0.0002 Å |
| b | 10.3178 ± 0.0002 Å |
| c | 29.9387 ± 0.0006 Å |
| α | 90° |
| β | 93.604 ± 0.001° |
| γ | 90° |
| Cell volume | 2483.44 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287460 (current) | 2023-11-07 | cif/ Adding structures of 1570276 via cif-deposit CGI script. |
1570276.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.