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Information card for entry 7034473
Preview
| Coordinates | 7034473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NH4FDNTz |
|---|---|
| Formula | C2 H4 F N7 O4 |
| Calculated formula | C2 H4 F N7 O4 |
| SMILES | c1(C(F)(N(=O)=O)N(=O)=O)[n-]nnn1.[NH4+] |
| 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 | 13.9642 ± 0.0007 Å |
| b | 8.9672 ± 0.0005 Å |
| c | 13.9957 ± 0.0007 Å |
| α | 90° |
| β | 115.472 ± 0.0001° |
| γ | 90° |
| Cell volume | 1582.19 ± 0.14 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
7034473.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. |
7034473.cif |
| 134112 | 2015-03-19 | cif/ Adding structures of 7034473 via cif-deposit CGI script. |
7034473.cif |
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Users of the data should acknowledge the original authors of the
structural data.