Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039342
Preview
| Coordinates | 7039342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H68 N9 Ni2 O16 Tb |
|---|---|
| Calculated formula | C60 H68 N9 Ni2 O16 Tb |
| Title of publication | Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration. |
| Authors of publication | Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 26 |
| Pages of publication | 10689 - 10695 |
| a | 13.2669 ± 0.0007 Å |
| b | 15.1167 ± 0.0007 Å |
| c | 17.6076 ± 0.001 Å |
| α | 73.3906 ± 0.0017° |
| β | 89.3892 ± 0.0019° |
| γ | 66.6355 ± 0.0016° |
| Cell volume | 3085.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039342.cif |
| 185351 | 2016-08-07 | cif/ Updating files of 7039341, 7039342, 7039343, 7039344 Original log message: Adding full bibliography for 7039341--7039344.cif. |
7039342.cif |
| 183138 | 2016-05-28 | cif/ Adding structures of 7039341, 7039342, 7039343, 7039344 via cif-deposit CGI script. |
7039342.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.