Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105315
Preview
| Coordinates | 8105315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 Br2 Cd N8 O2.5 |
|---|---|
| Calculated formula | C28 H24 Br2 Cd N8 O2.5 |
| Title of publication | Crystal structure of bis(3-bromo-N-(1-(3-methylpyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)cadmium(II) hemihydrate, C28H25N8O2.5Br2Cd |
| Authors of publication | Guo, Yi-Peng; Liu, Xiao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 4 |
| Pages of publication | 873 - 874 |
| a | 8.7233 ± 0.0016 Å |
| b | 11.655 ± 0.002 Å |
| c | 15.374 ± 0.003 Å |
| α | 82.225 ± 0.004° |
| β | 86.125 ± 0.003° |
| γ | 76.3 ± 0.003° |
| Cell volume | 1503.6 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275571 (current) | 2022-05-20 | cif/ Adding structures of 8105315 via cif-deposit CGI script. |
8105315.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.