Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557665
Preview
| Coordinates | 1557665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H38 N4 O7 Zn |
|---|---|
| Calculated formula | C31 H38 N4 O7 Zn |
| Title of publication | Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets |
| Authors of publication | Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| a | 9.859 ± 0.003 Å |
| b | 11.493 ± 0.003 Å |
| c | 15.268 ± 0.005 Å |
| α | 100.424 ± 0.003° |
| β | 106.364 ± 0.003° |
| γ | 93.104 ± 0.004° |
| Cell volume | 1622.4 ± 0.8 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0753 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249764 (current) | 2020-03-27 | cif/ Adding structures of 1557665 via cif-deposit CGI script. |
1557665.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.