Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134582
Preview
Coordinates | 4134582.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Mg-CUK-1L; As-Synthesized; Hydrated |
---|---|
Formula | C26 H54 Mg3 N2 O29 |
Calculated formula | C26 H16 Mg3 N2 O29 |
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 | 23.44 ± 0.0004 Å |
b | 18.8301 ± 0.0003 Å |
c | 10.91659 ± 0.00018 Å |
α | 90° |
β | 93.4812 ± 0.0017° |
γ | 90° |
Cell volume | 4809.45 ± 0.14 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 | 0.0698 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.2045 |
Weighted residual factors for all reflections included in the refinement | 0.2059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4134582.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.