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Information card for entry 1557666
Preview
| Coordinates | 1557666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H66 F3 N8 O15 S Tb Zn2 |
|---|---|
| Calculated formula | C61 H66 F3 N8 O15 S Tb Zn2 |
| 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 | 11.8682 ± 0.0004 Å |
| b | 11.8682 ± 0.0004 Å |
| c | 38.4392 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4688.9 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0258 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249765 (current) | 2020-03-27 | cif/ Adding structures of 1557666 via cif-deposit CGI script. |
1557666.cif |
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Users of the data should acknowledge the original authors of the
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