Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573811
Preview
| Coordinates | 1573811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H29 In N2 O6 S6 |
|---|---|
| Calculated formula | C39 H29 In N2 O6 S6 |
| a | 10.9278 ± 0.0002 Å |
| b | 9.492 ± 0.0002 Å |
| c | 19.0268 ± 0.0004 Å |
| α | 90° |
| β | 97.401 ± 0.002° |
| γ | 90° |
| Cell volume | 1957.14 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297532 (current) | 2025-01-30 | cif/ Adding structures of 1573811, 1573812, 1573813 via cif-deposit CGI script. |
1573811.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.