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Information card for entry 4342493
Preview
| Coordinates | 4342493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 N2 O4 |
|---|---|
| Calculated formula | C16 H16 N2 O4 |
| SMILES | Oc1ccccc1C(=O)NCCNC(=O)c1ccccc1O |
| Title of publication | Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes. |
| Authors of publication | González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 2512 - 2521 |
| a | 6.545 ± 0.003 Å |
| b | 6.964 ± 0.003 Å |
| c | 15.297 ± 0.008 Å |
| α | 94.31 ± 0.008° |
| β | 94.205 ± 0.01° |
| γ | 95.464 ± 0.016° |
| Cell volume | 689.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1256 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1799 |
| Weighted residual factors for all reflections included in the refinement | 0.2117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.884 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179527 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/24. |
4342493.cif |
| 134764 | 2015-04-04 | cif/ Updating files of 4342493, 4342494, 4342495, 4342496 Original log message: Adding full bibliography for 4342493--4342496.cif. |
4342493.cif |
| 132327 | 2015-02-24 | cif/ Adding structures of 4342493 via cif-deposit CGI script. |
4342493.cif |
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Users of the data should acknowledge the original authors of the
structural data.