Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4135488
Preview
| Coordinates | 4135488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C223 H178.5 Ag8 F36 I2 N48.5 O25.5 S12 |
|---|---|
| Calculated formula | C223.002 H171 Ag8 F36 I2 N48.501 O25.5 S12 |
| Title of publication | Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates |
| Authors of publication | McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 21.642 ± 0.0003 Å |
| b | 24.0386 ± 0.0004 Å |
| c | 25.2054 ± 0.0004 Å |
| α | 80.592 ± 0.001° |
| β | 81.819 ± 0.001° |
| γ | 79.012 ± 0.001° |
| Cell volume | 12615.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1226 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.2033 |
| Weighted residual factors for all reflections included in the refinement | 0.2245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260329 (current) | 2021-01-01 | cif/ Adding structures of 4135488 via cif-deposit CGI script. |
4135488.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.