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Information card for entry 7239247
Preview
| Coordinates | 7239247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H44 Cu N6 O16 |
|---|---|
| Calculated formula | C28 H44 Cu N6 O16 |
| Title of publication | Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates |
| Authors of publication | Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 48 |
| Pages of publication | 26220 |
| a | 14.0765 ± 0.0007 Å |
| b | 9.4805 ± 0.0003 Å |
| c | 15.3959 ± 0.0006 Å |
| α | 90° |
| β | 116.278 ± 0.005° |
| γ | 90° |
| Cell volume | 1842.29 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239247.cif |
| 244617 | 2019-11-28 | cif/ Adding structures of 7239246, 7239247, 7239248, 7239249, 7239250, 7239251, 7239252, 7239253 via cif-deposit CGI script. |
7239247.cif |
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Users of the data should acknowledge the original authors of the
structural data.