Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540552
Preview
| Coordinates | 1540552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C198 H149 F48 N39 O64 Re4 S16 Zn9 |
|---|---|
| Calculated formula | C183.4 H149 F4.2 N31.7 O33.85 Re2.94 S1.4 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 | 38.4811 ± 0.0016 Å |
| b | 22.233 ± 0.0009 Å |
| c | 33.8318 ± 0.0014 Å |
| α | 90° |
| β | 115.636 ± 0.001° |
| γ | 90° |
| Cell volume | 26095.5 ± 1.9 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1103 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.2314 |
| Weighted residual factors for all reflections included in the refinement | 0.2483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170376 (current) | 2015-11-18 | cif/ Adding structures of 1540549, 1540550, 1540551, 1540552 via cif-deposit CGI script. |
1540552.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.