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Information card for entry 8105061
Preview
| Coordinates | 8105061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(imidazole-1-yl)methane |
|---|---|
| Formula | C7 H10 N4 O |
| Calculated formula | C7 H10 N4 O |
| Title of publication | The crystal structure of bis(imidazole-1-yl)methane monohydrate, C7H10N4O |
| Authors of publication | Wang, Yong; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 215 - 216 |
| a | 15.7815 ± 0.0013 Å |
| b | 4.3242 ± 0.0003 Å |
| c | 12.4658 ± 0.0009 Å |
| α | 90° |
| β | 106.301 ± 0.008° |
| γ | 90° |
| Cell volume | 816.5 ± 0.11 Å3 |
| Cell temperature | 113.25 ± 0.1 K |
| Ambient diffraction temperature | 113.25 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274675 (current) | 2022-04-26 | cif/ Adding structures of 8105061 via cif-deposit CGI script. |
8105061.cif |
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