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Information card for entry 7226206
Preview
Coordinates | 7226206.cif |
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Original paper (by DOI) | HTML |
Formula | C3 H9 N10 Na O4 |
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Calculated formula | C3 H9 N10 Na O4 |
SMILES | c1(n[n-]nn1)C(=NO)c1[n-]nnn1.[Na+].O.O.[NH3+]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 | 14.507 ± 0.003 Å |
b | 3.5938 ± 0.0007 Å |
c | 20.191 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1052.7 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0351 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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185733 (current) | 2016-08-10 | cif/ Adding structures of 7226204, 7226205, 7226206 via cif-deposit CGI script. |
7226206.cif |
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Users of the data should acknowledge the original authors of the
structural data.