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Information card for entry 7719027
Preview
| Coordinates | 7719027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-ditetrazol-1-yl-butane bis(1-amino-5-nitriminotetrazolato) copper(II) semi 1,4-ditetrazol-1-yl-butane adduct |
|---|---|
| Formula | C11 H19 Cu N26 O4 |
| Calculated formula | C11 H19 Cu N26 O4 |
| Title of publication | 1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds. |
| Authors of publication | Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2025 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 6156 - 6166 |
| a | 8.5054 ± 0.0005 Å |
| b | 9.3145 ± 0.0006 Å |
| c | 16.4303 ± 0.001 Å |
| α | 73.794 ± 0.005° |
| β | 78.909 ± 0.005° |
| γ | 80.601 ± 0.005° |
| Cell volume | 1218.27 ± 0.13 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300364 (current) | 2025-07-05 | cif/ Adding structures of 7719023, 7719024, 7719025, 7719026, 7719027, 7719028, 7719029, 7719030 via cif-deposit CGI script. |
7719027.cif |
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Users of the data should acknowledge the original authors of the
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