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Information card for entry 7228578
Preview
| Coordinates | 7228578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H15 Cu0.5 N2 O7 |
|---|---|
| Calculated formula | C19 H15 Cu0.5 N2 O7 |
| Title of publication | Cu(II) frameworks from a “mixed-ligand” approach |
| Authors of publication | Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 21.289 ± 0.003 Å |
| b | 10.6498 ± 0.0016 Å |
| c | 15.634 ± 0.002 Å |
| α | 90° |
| β | 105.939 ± 0.002° |
| γ | 90° |
| Cell volume | 3408.3 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228578.cif |
| 198222 | 2017-06-29 | cif/ Adding structures of 7228576, 7228577, 7228578, 7228579, 7228580, 7228581, 7228582, 7228583, 7228584 via cif-deposit CGI script. |
7228578.cif |
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Users of the data should acknowledge the original authors of the
structural data.