Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003179
Preview
| Coordinates | 4003179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 Cu I N4 O3 |
|---|---|
| Calculated formula | C28 H22 Cu I N4 O3 |
| Title of publication | Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner |
| Authors of publication | Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 5349 |
| a | 24.26 ± 0.003 Å |
| b | 12.6267 ± 0.0012 Å |
| c | 17.8971 ± 0.0017 Å |
| α | 90° |
| β | 113.86 ± 0.005° |
| γ | 90° |
| Cell volume | 5013.8 ± 0.9 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0613 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231412 (current) | 2019-11-22 | cif/ Adding structures of 4003179 via cif-deposit CGI script. |
4003179.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.