Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575062
Preview
| Coordinates | 1575062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H98 Fe2 Se4.2 Sn |
|---|---|
| Calculated formula | C76 H98 Fe2 Se4.2 Sn |
| Title of publication | Ferrocenyl Substituted Stannanethione and Stannaneselone |
| Authors of publication | Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro |
| Journal of publication | Molecules |
| Year of publication | 2025 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 2826 |
| a | 25.7657 ± 0.0003 Å |
| b | 11.3819 ± 0.0001 Å |
| c | 25.9495 ± 0.0003 Å |
| α | 90° |
| β | 111.185 ± 0.001° |
| γ | 90° |
| Cell volume | 7095.72 ± 0.14 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301198 (current) | 2025-07-07 | cif/ Adding structures of 1575059, 1575060, 1575061, 1575062, 1575063, 1575064 via cif-deposit CGI script. |
1575062.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.