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Information card for entry 7711995
Preview
| Coordinates | 7711995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 Er N5 O16 |
|---|---|
| Calculated formula | C30 H32 Er N5 O16 |
| SMILES | [Er]1234(Oc5c([O]1C)cc(cc5/C=[NH+]/c1c(O)cccc1)C)(Oc1c([O]2C)cc(cc1/C=[NH+]/c1c(O)cccc1)C)([O]=N(=O)O3)(ON(=[O]4)=O)[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 | 10.3019 ± 0.0013 Å |
| b | 11.8026 ± 0.0016 Å |
| c | 14.448 ± 0.002 Å |
| α | 89.12 ± 0.004° |
| β | 78.07 ± 0.004° |
| γ | 76.718 ± 0.004° |
| Cell volume | 1671.8 ± 0.4 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| 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. |
7711995.cif |
| 279996 | 2022-12-22 | cif/ Adding structures of 7711991, 7711992, 7711993, 7711994, 7711995, 7711996 via cif-deposit CGI script. |
7711995.cif |
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Users of the data should acknowledge the original authors of the
structural data.