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Information card for entry 7239126
Preview
| Coordinates | 7239126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H19 Br N4 O3 |
|---|---|
| Calculated formula | C22 H19 Br N4 O3 |
| Title of publication | A tetrameric hetero-octanuclear cyclic helicate formed from a bridging ligand with two inequivalent binding sites |
| Authors of publication | Metherell, A. J.; Ward, M. D. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 34 |
| Pages of publication | 14281 |
| a | 4.807 ± 0.003 Å |
| b | 18.377 ± 0.013 Å |
| c | 22.149 ± 0.015 Å |
| α | 90° |
| β | 91.68 ± 0.03° |
| γ | 90° |
| Cell volume | 1956 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1019 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.189 |
| Weighted residual factors for all reflections included in the refinement | 0.214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71075 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. |
7239126.cif |
| 244559 | 2019-11-28 | cif/ Adding structures of 7239125, 7239126 via cif-deposit CGI script. |
7239126.cif |
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Users of the data should acknowledge the original authors of the
structural data.