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Information card for entry 7118671
Preview
| Coordinates | 7118671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 N3 |
|---|---|
| Calculated formula | C15 H13 N3 |
| SMILES | c1(ccccc1)c1cn(Cc2ccccc2)nn1 |
| Title of publication | Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne "click" reaction and promising oxidation of ethylbenzene |
| Authors of publication | Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1373 - 1376 |
| a | 7.982 ± 0.0012 Å |
| b | 5.766 ± 0.002 Å |
| c | 13.788 ± 0.002 Å |
| α | 90° |
| β | 100.341 ± 0.002° |
| γ | 90° |
| Cell volume | 624.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7118455 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209776 (current) | 2018-08-16 | cif/7/11/ Updating bibliography in entries 7118453-7118456, 7118669-7118672. Marking entries 7118669-7118672 as duplicates of entries 7118453-7118456. |
7118671.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118671.cif |
| 175293 | 2016-01-29 | cif/ Adding structures of 7118669, 7118670, 7118671, 7118672 via cif-deposit CGI script. |
7118671.cif |
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Users of the data should acknowledge the original authors of the
structural data.