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Information card for entry 8104818
Preview
| Coordinates | 8104818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 Br4 N4 O4 |
|---|---|
| Calculated formula | C34 H32 Br4 N4 O4 |
| Title of publication | Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4 |
| Authors of publication | Li, Tianyu; Xu, Xindi; Wang, Man; Wang, Xia; Wu, Qiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 2 |
| Pages of publication | 319 - 321 |
| a | 16.3126 ± 0.0005 Å |
| b | 6.9654 ± 0.0002 Å |
| c | 29.3 ± 0.001 Å |
| α | 90° |
| β | 92.726 ± 0.001° |
| γ | 90° |
| Cell volume | 3325.41 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0615 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273866 (current) | 2022-03-21 | cif/ Adding structures of 8104818 via cif-deposit CGI script. |
8104818.cif |
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Users of the data should acknowledge the original authors of the
structural data.