Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133553
Preview
Coordinates | 4133553.cif |
---|---|
Original paper (by DOI) | HTML |
Mineral name | ZrTpmC*-CuI Metal-Organic Framework |
---|---|
Formula | C206.85 Cu4.8 I4.8 N48 O157.62 Zr18 |
Calculated formula | C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 |
Title of publication | Reversible Metalation and Catalysis with a Scorpionate-like Metallo-ligand in a Metal-Organic Framework. |
Authors of publication | Sun, Chenyue; Skorupskii, Grigorii; Dou, Jin-Hu; Wright, Ashley M.; Dincă, Mircea |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 50 |
Pages of publication | 17394 - 17398 |
a | 22.7496 ± 0.0003 Å |
b | 22.7496 ± 0.0003 Å |
c | 22.7496 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11773.9 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 221 |
Hermann-Mauguin space group symbol | P m -3 m |
Hall space group symbol | -P 4 2 3 |
Goodness-of-fit parameter for all reflections | 3.385 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.412747 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
243310 (current) | 2019-11-26 | cif/ Adding structures of 4133553 via cif-deposit CGI script. |
4133553.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.