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Information card for entry 1529384
Preview
| Coordinates | 1529384.cif |
|---|---|
| Structure factors | 1529384.hkl |
| Original paper (by DOI) | HTML |
| Formula | C H N8 O2 |
|---|---|
| Calculated formula | C H8 N8 O2 |
| SMILES | O=N([O-])=Nc1[n-]nnn1.[NH4+].[NH4+] |
| Title of publication | Crystal and Molecular Structure of Nitramino Derivatives of Tetrazole and 1,2,4-Triazole. II. 5-Nitraminotetrazole Diammonium Salt |
| Authors of publication | A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; L.A. Kruglyakova; R.S. Stepanov |
| Journal of publication | Journal of Structural Chemistry |
| Year of publication | 2004 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 175 - 180 |
| a | 7.272 ± 0.001 Å |
| b | 8.643 ± 0.001 Å |
| c | 10.427 ± 0.001 Å |
| α | 90° |
| β | 93.2 ± 0.01° |
| γ | 90° |
| Cell volume | 654.33 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181862 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1529384.cif 1529384.hkl |
| 153314 | 2015-08-10 | cif/ hkl/ Adding structures of 1529384 via cif-deposit CGI script. |
1529384.cif 1529384.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.