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Information card for entry 7034469
Preview
| Coordinates | 7034469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NaDinitrocyanomethide |
|---|---|
| Chemical name | sodium dinitrocyanomethide |
| Formula | C2 H2 N3 Na O5 |
| Calculated formula | C2 H2 N3 Na O5 |
| SMILES | [C-](C#N)(N(=O)=O)N(=O)=O.[Na+].O |
| Title of publication | 5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds. |
| Authors of publication | Haiges, Ralf; Christe, Karl O. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 22 |
| Pages of publication | 10166 - 10176 |
| a | 7.5138 ± 0.0006 Å |
| b | 8.1663 ± 0.0006 Å |
| c | 19.9151 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1221.99 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180050 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44. |
7034469.cif |
| 138612 | 2015-06-07 | cif/ Updating files of 7034468, 7034469, 7034470, 7034471, 7034472, 7034473, 7034474 Original log message: Adding full bibliography for 7034468--7034474.cif. |
7034469.cif |
| 134110 | 2015-03-19 | cif/ Adding structures of 7034469 via cif-deposit CGI script. |
7034469.cif |
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Users of the data should acknowledge the original authors of the
structural data.