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Information card for entry 8106552
Preview
| Coordinates | 8106552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N2 O9.5 |
|---|---|
| Calculated formula | C16 H13 N2 O9.5 |
| Title of publication | Crystal structure of (E)-4,4′-(ethene-1,2-diyl)bis(3-nitrobenzoic acid) 1.5 hydrate, C16H13N2O9.5 |
| Authors of publication | Song, Li; Hui, Liu; Linxin, Deng; Xiangdong, Qin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 411 - 412 |
| a | 7.3757 ± 0.0004 Å |
| b | 7.7827 ± 0.0005 Å |
| c | 15.2903 ± 0.001 Å |
| α | 79.473 ± 0.004° |
| β | 82.927 ± 0.001° |
| γ | 72.069 ± 0.004° |
| Cell volume | 818.92 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280528 (current) | 2023-01-23 | cif/ Adding structures of 8106552 via cif-deposit CGI script. |
8106552.cif |
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Users of the data should acknowledge the original authors of the
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