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Information card for entry 7056445
Preview
| Coordinates | 7056445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H44 Cu2 N12 O14 |
|---|---|
| Calculated formula | C28 H44 Cu2 N12 O14 |
| Title of publication | Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands |
| Authors of publication | Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 17.7066 ± 0.0005 Å |
| b | 11.8913 ± 0.0003 Å |
| c | 19.4436 ± 0.0013 Å |
| α | 90° |
| β | 111.498 ± 0.008° |
| γ | 90° |
| Cell volume | 3809.1 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198778 (current) | 2017-07-18 | cif/ Adding structures of 7056441, 7056442, 7056443, 7056444, 7056445 via cif-deposit CGI script. |
7056445.cif |
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Users of the data should acknowledge the original authors of the
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