Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7711994
Preview
| Coordinates | 7711994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 N5 O16 Yb |
|---|---|
| Calculated formula | C30 H32 N5 O16 Yb |
| SMILES | [Yb]1234(Oc5c([O]1C)cc(cc5/C=[NH+]/c1c(O)cccc1)C)(Oc1c(cc(cc1[O]2C)C)/C=[NH+]/c1c(O)cccc1)(ON(=[O]3)=O)([O]=N(=O)O4)[OH2].N(=O)(=O)[O-] |
| Title of publication | Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup> single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues. |
| Authors of publication | Pramanik, Kuheli; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch; Panja, Anangamohan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1241 - 1256 |
| a | 10.312 ± 0.0005 Å |
| b | 11.7797 ± 0.0006 Å |
| c | 14.4411 ± 0.0008 Å |
| α | 89.02 ± 0.003° |
| β | 78.107 ± 0.002° |
| γ | 76.588 ± 0.002° |
| Cell volume | 1668.85 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0322 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283256 (current) | 2023-05-05 | cif/ Updating files of 7711991, 7711992, 7711993, 7711994, 7711995, 7711996 Original log message: Adding full bibliography for 7711991--7711996.cif. |
7711994.cif |
| 279996 | 2022-12-22 | cif/ Adding structures of 7711991, 7711992, 7711993, 7711994, 7711995, 7711996 via cif-deposit CGI script. |
7711994.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.