Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7703406
Preview
| Coordinates | 7703406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H94 P2 Se6 Si6 Zn2 |
|---|---|
| Calculated formula | C66 H94 P2 Se6 Si6 Zn2 |
| Title of publication | Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis. |
| Authors of publication | Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 8 |
| Pages of publication | 2517 - 2526 |
| a | 12.36 ± 0.006 Å |
| b | 12.641 ± 0.006 Å |
| c | 14.29 ± 0.007 Å |
| α | 104.645 ± 0.014° |
| β | 108.529 ± 0.013° |
| γ | 105.841 ± 0.014° |
| Cell volume | 1890.2 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703406.cif |
| 248926 | 2020-03-05 | cif/ Updating files of 7703404, 7703405, 7703406 Original log message: Adding full bibliography for 7703404--7703406.cif. |
7703406.cif |
| 247401 | 2020-01-31 | cif/ Adding structures of 7703404, 7703405, 7703406 via cif-deposit CGI script. |
7703406.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.