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Information card for entry 8107504
Preview
| Coordinates | 8107504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H2 K N3 O7 |
|---|---|
| Calculated formula | C6 H2 K N3 O7 |
| Title of publication | Crystal structure of a polymorph of potassium picrate, C6H2KN3O7 |
| Authors of publication | Luo, Xinyao; Chen, Cuilian; Hu, Zunjian; Wang, Fei; Sun, Shanhu; Suo, Zhirong; Su, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 593 - 594 |
| a | 4.1681 ± 0.0002 Å |
| b | 10.6704 ± 0.0006 Å |
| c | 10.2381 ± 0.0006 Å |
| α | 90° |
| β | 95.134 ± 0.002° |
| γ | 90° |
| Cell volume | 453.52 ± 0.04 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286377 (current) | 2023-09-18 | cif/ Adding structures of 8107504 via cif-deposit CGI script. |
8107504.cif |
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Users of the data should acknowledge the original authors of the
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