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Information card for entry 7056442
Preview
| Coordinates | 7056442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 Co N6 O7 |
|---|---|
| Calculated formula | C20 H34 Co N6 O9 |
| 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 | 15.1068 ± 0.0006 Å |
| b | 9.9563 ± 0.0005 Å |
| c | 17.5608 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2641.3 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.17 |
| Residual factor for significantly intense reflections | 0.0791 |
| Weighted residual factors for significantly intense reflections | 0.2068 |
| Weighted residual factors for all reflections included in the refinement | 0.2958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| 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. |
7056442.cif |
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Users of the data should acknowledge the original authors of the
structural data.