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Information card for entry 8107566
Preview
| Coordinates | 8107566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H13 Cl2 N5 |
|---|---|
| Calculated formula | C4 H13 Cl2 N5 |
| Title of publication | Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5 |
| Authors of publication | Xia, Yu-Pei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 799 - 800 |
| a | 7.1868 ± 0.0006 Å |
| b | 5.8408 ± 0.0004 Å |
| c | 12.6534 ± 0.0011 Å |
| α | 90° |
| β | 105.134 ± 0.002° |
| γ | 90° |
| Cell volume | 512.73 ± 0.07 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286577 (current) | 2023-09-28 | cif/ Adding structures of 8107566 via cif-deposit CGI script. |
8107566.cif |
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Users of the data should acknowledge the original authors of the
structural data.