Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233256
Preview
Coordinates | 7233256.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 N2 O11 Tb |
---|---|
Calculated formula | C18 H20 N2 O11 Tb |
Title of publication | Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework |
Authors of publication | Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 35 |
Pages of publication | 5292 |
a | 10.6786 ± 0.0015 Å |
b | 11.0643 ± 0.0014 Å |
c | 13.078 ± 0.003 Å |
α | 98.788 ± 0.014° |
β | 113.593 ± 0.018° |
γ | 99.692 ± 0.011° |
Cell volume | 1353.7 ± 0.5 Å3 |
Cell temperature | 380 K |
Ambient diffraction temperature | 380 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 | 0.1373 |
Residual factor for significantly intense reflections | 0.1222 |
Weighted residual factors for significantly intense reflections | 0.2995 |
Weighted residual factors for all reflections included in the refinement | 0.315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7142 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233256.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.