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Information card for entry 8107191
Preview
| Coordinates | 8107191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 Cl2 N2 O8 |
|---|---|
| Calculated formula | C12 H14 Cl2 N2 O8 |
| Title of publication | The crystal structure of 1,2-bis(pyridinium-4-yl)ethane diperchlorate, C12H14N2·2ClO4 – a second polymorph |
| Authors of publication | Qiu, Qi-Ming; Song, Jian-Biao; Yan, Li; Dong, Ai-Guo; Li, Chuan-Tao; Zheng, Zhi-Yuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 695 - 696 |
| a | 5.317 ± 0.0004 Å |
| b | 12.8711 ± 0.0008 Å |
| c | 11.6788 ± 0.0007 Å |
| α | 90° |
| β | 100.888 ± 0.002° |
| γ | 90° |
| Cell volume | 784.86 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283720 (current) | 2023-05-12 | cif/ Adding structures of 8107191 via cif-deposit CGI script. |
8107191.cif |
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Users of the data should acknowledge the original authors of the
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