Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556899
Preview
| Coordinates | 1556899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C144 H300 Ni6 S12 |
|---|---|
| Calculated formula | C144 H300 Ni6 S12 |
| SMILES | C(CCCCCCCCCCC)[S]1[Ni]23[S](CCCCCCCCCCCC)[Ni]4([S](CCCCCCCCCCCC)[Ni]5([S]4CCCCCCCCCCCC)[S](CCCCCCCCCCCC)[Ni]4([S](CCCCCCCCCCCC)[Ni]6([S](CCCCCCCCCCCC)[Ni]1([S]2CCCCCCCCCCCC)[S]6CCCCCCCCCCCC)[S]4CCCCCCCCCCCC)[S]5CCCCCCCCCCCC)[S]3CCCCCCCCCCCC |
| Title of publication | One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid. |
| Authors of publication | Zhuang, Zhihua; Chen, Wei |
| Journal of publication | The Analyst |
| Year of publication | 2020 |
| Journal volume | 145 |
| Journal issue | 7 |
| Pages of publication | 2621 - 2630 |
| a | 13.0353 ± 0.0006 Å |
| b | 18.6391 ± 0.0009 Å |
| c | 19.8731 ± 0.001 Å |
| α | 108.331 ± 0.003° |
| β | 108.152 ± 0.003° |
| γ | 101.306 ± 0.003° |
| Cell volume | 4117.5 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1673 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1848 |
| Weighted residual factors for all reflections included in the refinement | 0.2606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.832 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556899.cif |
| 250145 | 2020-04-05 | cif/ Updating files of 1556899 Original log message: Adding full bibliography for 1556899.cif. |
1556899.cif |
| 246443 | 2020-01-03 | cif/ Adding structures of 1556899 via cif-deposit CGI script. |
1556899.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.