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Information card for entry 7241238
Preview
| Coordinates | 7241238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 Cd2 N18 O20 |
|---|---|
| Calculated formula | C16 H22 Cd2 N18 O20 |
| Title of publication | A Highly Stable Octa-coordinated Energetic Complex |
| Authors of publication | Tong, Wenchao; Bian, Mei; Feng, Yongan; Zhang, Tonglai; Hu, Shuangqi; Yang, Li |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.7293 ± 0.0017 Å |
| b | 10.047 ± 0.002 Å |
| c | 10.55 ± 0.003 Å |
| α | 114.942 ± 0.003° |
| β | 91.849 ± 0.002° |
| γ | 95.634 ± 0.003° |
| Cell volume | 736.8 ± 0.3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256415 (current) | 2020-09-15 | cif/ Adding structures of 7241238 via cif-deposit CGI script. |
7241238.cif |
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Users of the data should acknowledge the original authors of the
structural data.