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Information card for entry 7040007
Preview
| Coordinates | 7040007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H2 N8 O3 Pb |
|---|---|
| Calculated formula | C2 H2 N8 O3 Pb |
| Title of publication | A novel 3D energetic MOF of high energy content: synthesis and superior explosive performance of a Pb(ii) compound with 5,5'-bistetrazole-1,1'-diolate. |
| Authors of publication | Shang, Yu; Jin, Bo; Peng, Rufang; Liu, Qiangqiang; Tan, Bisheng; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 35 |
| Pages of publication | 13881 - 13887 |
| a | 12.3106 ± 0.0003 Å |
| b | 6.57573 ± 0.00017 Å |
| c | 8.4715 ± 0.0003 Å |
| α | 90° |
| β | 94.85 ± 0.003° |
| γ | 90° |
| Cell volume | 683.32 ± 0.03 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186382 (current) | 2016-09-10 | cif/ Updating files of 7040007 Original log message: Adding full bibliography for 7040007.cif. |
7040007.cif |
| 184600 | 2016-07-22 | cif/ Adding structures of 7040007 via cif-deposit CGI script. |
7040007.cif |
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Users of the data should acknowledge the original authors of the
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