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Information card for entry 7249674
Preview
| Coordinates | 7249674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H7 N12 Na O2 |
|---|---|
| Calculated formula | C4 H7 N12 Na O2 |
| 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 | 12.5111 ± 0.0004 Å |
| b | 6.5119 ± 0.0002 Å |
| c | 26.0556 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2122.78 ± 0.11 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
7249674.cif |
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