Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105117
Preview
| Coordinates | 8105117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 N8 Ni O4 S2 |
|---|---|
| Calculated formula | C22 H30 N8 Ni O4 S2 |
| Title of publication | Crystal structure of bis(N′-((5-(ethoxycarbonyl)-1H-pyrrol-2-yl)methylene)-N-ethylcarbamohydrazonothioato-κ2N,O)nickel(II), C22H30N8O4S2Ni |
| Authors of publication | Chen, Kui-Kui; Huang, Jing-Tao; Lin, Long; Wu, Wei-Na |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 389 - 390 |
| a | 10.635 ± 0.002 Å |
| b | 10.308 ± 0.002 Å |
| c | 12.444 ± 0.003 Å |
| α | 90° |
| β | 101.205 ± 0.004° |
| γ | 90° |
| Cell volume | 1338.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274847 (current) | 2022-05-03 | cif/ Adding structures of 8105117 via cif-deposit CGI script. |
8105117.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.