Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131931
Preview
| Coordinates | 4131931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(ditetrazolylbutane) copper(II) chlorate |
|---|---|
| Chemical name | bis(ditetrazolylbutane) copper(II) chlorate |
| Formula | C12 H20 Cl2 Cu N16 O6 |
| Calculated formula | C12 H20 Cl2 Cu N16 O6 |
| Title of publication | Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. |
| Authors of publication | Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 9 |
| Pages of publication | 3206 - 3209 |
| a | 10.7286 ± 0.0006 Å |
| b | 6.8178 ± 0.0004 Å |
| c | 15.5263 ± 0.0012 Å |
| α | 90° |
| β | 100.469 ± 0.006° |
| γ | 90° |
| Cell volume | 1116.77 ± 0.13 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 |
|---|---|---|---|
| 242010 (current) | 2019-11-25 | cif/ Adding structures of 4131925, 4131926, 4131927, 4131928, 4131929, 4131930, 4131931, 4131932, 4131933, 4131934 via cif-deposit CGI script. |
4131931.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.