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Information card for entry 8105121
Preview
| Coordinates | 8105121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H5 N O6 |
|---|---|
| Calculated formula | C8 H5 N O6 |
| Title of publication | The crystal structure of 2-nitroisophthalic acid, C8H5NO6 |
| Authors of publication | Li, Shu-Jing; Li, Ke; Li, Yi-Wen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 399 - 400 |
| a | 5.4755 ± 0.0012 Å |
| b | 14.377 ± 0.003 Å |
| c | 11.143 ± 0.003 Å |
| α | 90° |
| β | 99.096 ± 0.009° |
| γ | 90° |
| Cell volume | 866.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.02 K |
| Number of distinct elements | 4 |
| 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0472 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274851 (current) | 2022-05-03 | cif/ Adding structures of 8105121 via cif-deposit CGI script. |
8105121.cif |
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Users of the data should acknowledge the original authors of the
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