Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134583
Preview
| Coordinates | 4134583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Mg-CUK-1L Dehydrated |
|---|---|
| Formula | C26 H21 Mg3 N2 O12.5 |
| Calculated formula | C26 H16 Mg3 N2 O12.5 |
| Title of publication | Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1. |
| Authors of publication | He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 24.22 ± 0.005 Å |
| b | 17.812 ± 0.004 Å |
| c | 10.975 ± 0.002 Å |
| α | 90° |
| β | 92.83 ± 0.03° |
| γ | 90° |
| Cell volume | 4728.9 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.2669 |
| Weighted residual factors for all reflections included in the refinement | 0.2883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134583.html
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.