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Information card for entry 1570516
Preview
| Coordinates | 1570516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 Br2 Cu N8 O6 |
|---|---|
| Calculated formula | C4 H4 Br2 Cu N8 O6 |
| Title of publication | A three-dimensional energetic coordination compound (BLG-1) with excellent initiating ability for lead-free primary explosives. |
| Authors of publication | Lei, Guorong; Cheng, Wenchuan; Lu, Zujia; Zhang, Tonglai; Li, Zhimin; Zhang, Jianguo |
| Journal of publication | Materials horizons |
| Year of publication | 2023 |
| Journal volume | 10 |
| Journal issue | 12 |
| Pages of publication | 5775 - 5781 |
| a | 9.3556 ± 0.0009 Å |
| b | 6.8168 ± 0.0007 Å |
| c | 9.3773 ± 0.0008 Å |
| α | 90° |
| β | 93.497 ± 0.002° |
| γ | 90° |
| Cell volume | 596.93 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288071 (current) | 2023-12-06 | cif/ Adding structures of 1570516 via cif-deposit CGI script. |
1570516.cif |
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Users of the data should acknowledge the original authors of the
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