Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514050
Preview
| Coordinates | 4514050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 Mn2 N8 O13 |
|---|---|
| Calculated formula | C28 H28 Mn2 N8 O13 |
| Title of publication | Distinct Chromic and Magnetic Properties of Metal-Organic Frameworks with a Redox Ligand. |
| Authors of publication | Gong, Teng; Yang, Xiao; Fang, Jia-Jia; Sui, Qi; Xi, Fu-Gui; Gao, En-Qing |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 5503 - 5512 |
| a | 19.453 ± 0.0007 Å |
| b | 11.3613 ± 0.0007 Å |
| c | 15.2963 ± 0.0009 Å |
| α | 90° |
| β | 115.636 ± 0.002° |
| γ | 90° |
| Cell volume | 3047.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192843 (current) | 2017-03-03 | cif/ Adding structures of 4514050 via cif-deposit CGI script. |
4514050.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.