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Information card for entry 7020067
Preview
| Coordinates | 7020067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bisdiaminoguanidinium 5,5-azoxy-tetrazolate monohydrate |
|---|---|
| Chemical name | bisdiaminoguanidinium 5,5-azoxy-tetrazolate monohydrate |
| Formula | C4 H18 N20 O2 |
| Calculated formula | C4 H18 N20 O2 |
| SMILES | [O-]N(N=c1nnnn1)c1[n-]nnn1.[NH2+]=C(NN)NN.[NH2+]=C(NN)NN.O |
| 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 | 6.6702 ± 0.0005 Å |
| b | 10.088 ± 0.0008 Å |
| c | 12.7314 ± 0.0011 Å |
| α | 68.218 ± 0.008° |
| β | 84.845 ± 0.007° |
| γ | 76.76 ± 0.007° |
| Cell volume | 774.36 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7020067.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020067.cif |
| 66535 | 2012-09-11 | cif/ Adding structures of 7020063, 7020064, 7020065, 7020066, 7020067, 7020068 via cif-deposit CGI script. |
7020067.cif |
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Users of the data should acknowledge the original authors of the
structural data.