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Information card for entry 7249675
Preview
| Coordinates | 7249675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H5 K N12 O |
|---|---|
| Calculated formula | C4 H5 K N12 O |
| Title of publication | Several energetic MOFs based on the N-rich energetic materials and alkali metals: Towards high detonation performances and good stabilities |
| Authors of publication | zhang, guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 6.7583 ± 0.0002 Å |
| b | 7.8975 ± 0.0002 Å |
| c | 9.8534 ± 0.0003 Å |
| α | 85.648 ± 0.002° |
| β | 73.651 ± 0.002° |
| γ | 87.923 ± 0.002° |
| Cell volume | 503.13 ± 0.03 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296728 (current) | 2024-12-07 | cif/ Adding structures of 7249673, 7249674, 7249675 via cif-deposit CGI script. |
7249675.cif |
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Users of the data should acknowledge the original authors of the
structural data.