Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2244208
Preview
| Coordinates | 2244208.cif |
|---|---|
| Structure factors | 2244208.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)\ nickel(II) acetonitrile disolvate |
|---|---|
| Formula | C30 H34 N8 Ni S2 |
| Calculated formula | C30 H34 N8 Ni S2 |
| Title of publication | Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) |
| Authors of publication | Krebs, Christoph; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| Pages of publication | 993 - 998 |
| a | 18.799 ± 0.0001 Å |
| b | 11.3033 ± 0.0001 Å |
| c | 15.8639 ± 0.0001 Å |
| α | 90° |
| β | 96.825 ± 0.001° |
| γ | 90° |
| Cell volume | 3347.04 ± 0.04 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1517 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279108 (current) | 2022-11-08 | cif/ hkl/ Adding structures of 2244207, 2244208, 2244209 via cif-deposit CGI script. |
2244208.cif 2244208.hkl |
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.