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Information card for entry 4317351
Preview
| Coordinates | 4317351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H140 Mn4 N4 O40 Y4 |
|---|---|
| Calculated formula | C68 H140 Mn4 N4 O40 Y4 |
| SMILES | C1C[O]2[Mn]3456[N]1(CC[O]3[Y]137([O]8[Mn]9%10%11([N](CCCC)(CC8)CC[O]9[Y]89([O]=C[O]3%10)([O]%11C)(OC(=O)CC)([OH]C)[O]3CC[N]%10(CC[O]%11[Mn]%123%10([O]8C=[O][Y]38%11([O]%10CC[N]%11(CC[O]%13[Mn]%14%10%11([O]3C=[O][Y]2%13([O]4C=[O]1)([O]%14C)([O]=C(CC)O6)(OC(=O)CC)[OH]C)[O]=C(CC)O8)CCCC)([O]%12C)(OC(=O)CC)[OH]C)[O]=C(CC)O9)CCCC)[O]=C(CC)O7)([O]5C)(OC(=O)CC)[OH]C)CCCC |
| Title of publication | A Family of 3d-4f Octa-Nuclear [MnIII4LnIII4] Wheels (Ln = Sm, Gd, Tb, Dy, Ho, Er, and Y): Synthesis, Structure, and Magnetism |
| Authors of publication | Mengyuan Li; Yanhua Lan; Ayuk M. Ako; Wolfgang Wernsdorfer; Christopher E. Anson; Gernot Buth; Annie K. Powell; Zheming Wang; Song Gao |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 11587 - 11594 |
| a | 39.996 ± 0.004 Å |
| b | 8.6973 ± 0.0011 Å |
| c | 33.58 ± 0.003 Å |
| α | 90° |
| β | 126.544 ± 0.006° |
| γ | 90° |
| Cell volume | 9384.5 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1111 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.2038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4317351.cif |
| 179253 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/73. |
4317351.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317351.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317351.cif |
| 10863 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317351 via cif-deposit CGI script. |
4317351.cif |
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Users of the data should acknowledge the original authors of the
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