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Information card for entry 4347733
Preview
| Coordinates | 4347733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 Cu N3 O4 |
|---|---|
| Calculated formula | C17 H11 Cu N3 O4 |
| Title of publication | Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance. |
| Authors of publication | Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 14 |
| Pages of publication | 6938 - 6948 |
| a | 16.6446 ± 0.0016 Å |
| b | 16.6446 ± 0.0016 Å |
| c | 11.9628 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3314.2 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232475 (current) | 2019-11-23 | cif/ Adding structures of 4347733 via cif-deposit CGI script. |
4347733.cif |
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Users of the data should acknowledge the original authors of the
structural data.