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Information card for entry 7700457
Preview
| Coordinates | 7700457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 N20 O4 |
|---|---|
| Calculated formula | C10 H12 N20 O4 |
| Title of publication | Novel strategies for synthesizing energetic materials based on BTO with improved performances. |
| Authors of publication | Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 31 |
| Pages of publication | 11848 - 11854 |
| a | 7.2291 ± 0.0007 Å |
| b | 9.866 ± 0.0009 Å |
| c | 13.8595 ± 0.0012 Å |
| α | 89.59 ± 0.007° |
| β | 82.374 ± 0.007° |
| γ | 68.567 ± 0.008° |
| Cell volume | 911.08 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1536 |
| Residual factor for significantly intense reflections | 0.1475 |
| Weighted residual factors for significantly intense reflections | 0.3383 |
| Weighted residual factors for all reflections included in the refinement | 0.3408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700457.cif |
| 224375 | 2019-11-08 | cif/ Updating files of 7700455, 7700456, 7700457, 7700458, 7700459 Original log message: Adding full bibliography for 7700455--7700459.cif. |
7700457.cif |
| 216766 | 2019-07-05 | cif/ Adding structures of 7700455, 7700456, 7700457, 7700458, 7700459 via cif-deposit CGI script. |
7700457.cif |
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Users of the data should acknowledge the original authors of the
structural data.