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Information card for entry 7020066
Preview
| Coordinates | 7020066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dihydroxylammonium 5,5-azoxy-tetrazolate dihydrate |
|---|---|
| Chemical name | dihydroxylammonium 5,5-azoxy-tetrazolate dihydrate |
| Formula | C2 H12 N12 O5 |
| Calculated formula | C2 H12 N12 O5 |
| SMILES | [NH3+]O.[NH3+]O.O.O.N(N(c1[n-]nnn1)[O-])=c1nnnn1 |
| Title of publication | 5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate. |
| Authors of publication | Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 36 |
| Pages of publication | 11201 - 11211 |
| a | 8.0709 ± 0.0006 Å |
| b | 22.2329 ± 0.0015 Å |
| c | 6.7382 ± 0.0006 Å |
| α | 90° |
| β | 102.014 ± 0.007° |
| γ | 90° |
| Cell volume | 1182.62 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.809 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179904 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/00. |
7020066.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020066.cif |
| 66535 | 2012-09-11 | cif/ Adding structures of 7020063, 7020064, 7020065, 7020066, 7020067, 7020068 via cif-deposit CGI script. |
7020066.cif |
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Users of the data should acknowledge the original authors of the
structural data.