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Information card for entry 4516225
Preview
| Coordinates | 4516225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H11 N18 Na O3 |
|---|---|
| Calculated formula | C4 H11 N18 Na O3 |
| SMILES | c1(nn[n]([nH]1)[Na]([OH2])([OH2])([OH2])[n]1c(Nc2[nH]nnn2)[nH]nn1)Nc1[n-]nnn1 |
| Title of publication | Facile Synthesis and Accelerated Combustion Effect of Micro-/Nanostructured Amorphous and Crystalline Metal Coordination Compounds Based on N,N-Bis[1H-tetrazol-5-yl]amine |
| Authors of publication | Wu, Bo; Lai, Yuan; Qi, Xiufang; Du, Huiying; Pei, Chonghua |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2019 |
| a | 6.3211 ± 0.0004 Å |
| b | 12.4338 ± 0.0008 Å |
| c | 18.4599 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1450.86 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227802 (current) | 2019-11-15 | cif/ Adding structures of 4516225 via cif-deposit CGI script. |
4516225.cif |
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Users of the data should acknowledge the original authors of the
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