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Information card for entry 1518450
Preview
| Coordinates | 1518450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H46 N4 O19 Tm |
|---|---|
| Calculated formula | C28 H46 N4 O19 Tm |
| SMILES | [Tm]1234567(OC(=O)[C@H]([N]84CC[N]5(CC[N]6(CC[N]7(CC8)[C@@H](C(=O)O3)CCC(=O)O)[C@@H](C(=O)O2)CCC(=O)O)[C@@H](C(=O)O1)CCC(=O)O)CCC(=O)O)[OH2].O.O.[Tm]1234567(OC(=O)[C@@H]([N]84CC[N]5(CC[N]6(CC[N]7(CC8)[C@H](C(=O)O3)CCC(=O)O)[C@H](C(=O)O2)CCC(=O)O)[C@H](C(=O)O1)CCC(=O)O)CCC(=O)O)[OH2].O.O |
| Title of publication | Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes |
| Authors of publication | Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1655 |
| a | 23.1686 ± 0.0013 Å |
| b | 9.677 ± 0.0006 Å |
| c | 16.8001 ± 0.001 Å |
| α | 90° |
| β | 118.272 ± 0.0016° |
| γ | 90° |
| Cell volume | 3317.3 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518450.cif |
| 133123 | 2015-03-06 | cif/ Updating files of 1518450 Original log message: Adding full bibliography for 1518450.cif. |
1518450.cif |
| 128817 | 2014-12-18 | cif/ Adding structures of 1518450 via cif-deposit CGI script. |
1518450.cif |
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