Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7119425
Preview
Coordinates | 7119425.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 N2 O4 Zn |
---|---|
Calculated formula | C16 H14 N2 O4 Zn |
Title of publication | A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration. |
Authors of publication | Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 5 |
Pages of publication | 861 - 864 |
a | 8.1816 ± 0.0001 Å |
b | 8.8537 ± 0.0001 Å |
c | 11.36 ± 0.0002 Å |
α | 92.384 ± 0.001° |
β | 107.705 ± 0.001° |
γ | 95.233 ± 0.001° |
Cell volume | 778.558 ± 0.019 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0263 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7119425.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.