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Information card for entry 7226205
Preview
| Coordinates | 7226205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H10 N10 Na O4.5 |
|---|---|
| Calculated formula | C3 H10 N10 Na O4.5 |
| SMILES | C(c1[n-]nnn1)(=N[O-])c1n[nH]nn1.O[NH3+].O.O.[Na+].O |
| Title of publication | Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime |
| Authors of publication | Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.431 ± 0.003 Å |
| b | 3.567 ± 0.0007 Å |
| c | 22.642 ± 0.008 Å |
| α | 90° |
| β | 111.56 ± 0.02° |
| γ | 90° |
| Cell volume | 1084 ± 0.5 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287753 (current) | 2023-11-23 | Fixing Z values and formulae |
7226205.cif |
| 185733 | 2016-08-10 | cif/ Adding structures of 7226204, 7226205, 7226206 via cif-deposit CGI script. |
7226205.cif |
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Users of the data should acknowledge the original authors of the
structural data.