Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540551
Preview
| Coordinates | 1540551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C202 H146 F40 N62 O66 S22 Zn9 |
|---|---|
| Calculated formula | C187 H146 F21 N32.5 O32 S7 Zn9 |
| Title of publication | Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe |
| Authors of publication | Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| a | 36.8 ± 0.017 Å |
| b | 36.8 ± 0.017 Å |
| c | 35.22 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 41306 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.1138 |
| Residual factor for significantly intense reflections | 0.0937 |
| Weighted residual factors for significantly intense reflections | 0.2471 |
| Weighted residual factors for all reflections included in the refinement | 0.2655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208253 (current) | 2018-06-10 | cif/ Updating space group information in entries 1540551, 4002656, 4002657. |
1540551.cif |
| 170376 | 2015-11-18 | cif/ Adding structures of 1540549, 1540550, 1540551, 1540552 via cif-deposit CGI script. |
1540551.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.