Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4348482
Preview
| Coordinates | 4348482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H8 Cu2 N O10 |
|---|---|
| Calculated formula | C22 H8 Cu2 N O10 |
| Title of publication | A Porous Cu(II)-MOF with Proline Embellished Cavity: Cooperative Catalysis for the Baylis-Hillman Reaction. |
| Authors of publication | De, Dinesh; Pal, Tapan K.; Bharadwaj, Parimal K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 14 |
| Pages of publication | 6842 - 6844 |
| a | 18.586 ± 0.005 Å |
| b | 18.586 ± 0.005 Å |
| c | 38.461 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11506 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232987 (current) | 2019-11-23 | cif/ Adding structures of 4348482 via cif-deposit CGI script. |
4348482.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.