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Information card for entry 7018153
Preview
| Coordinates | 7018153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C126 H112 Dy4 N4 O34 |
|---|---|
| Calculated formula | C126 H112 Dy4 N4 O34 |
| SMILES | O1C(c2ccccc2)=[O][Dy]234(OC(c5ccccc5)=[O][Dy]561(OC(=[O]6)c1ccccc1)([O]=C(c1ccccc1)O[Dy]16([O]=C(O[Dy]789([N](=Cc%10c(c(cc(c%10)C)/C=N/Cc%10occc%10)[OH]8)Cc8occc8)([O]=C(O9)c8ccccc8)([O]=C(O7)c7ccccc7)[O]=C(c7ccccc7)O1)c1ccccc1)(OC(=[O]6)c1ccccc1)([O]=C(O5)c1ccccc1)([OH]C)[OH]C)([OH]C)[OH]C)([N](=Cc1c(c(cc(c1)C)/C=N/Cc1occc1)[OH]2)Cc1ccco1)([O]=C(O3)c1ccccc1)[O]=C(O4)c1ccccc1 |
| Title of publication | Steric hindrances create a discrete linear Dy(4) complex exhibiting SMM behaviour. |
| Authors of publication | Lin, Shuang-Yan; Zhao, Lang; Ke, Hongshan; Guo, Yun-Nan; Tang, Jinkui; Guo, Yang; Dou, Jianmin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 11 |
| Pages of publication | 3248 - 3252 |
| a | 15.3812 ± 0.001 Å |
| b | 15.612 ± 0.001 Å |
| c | 15.9042 ± 0.0011 Å |
| α | 111.353 ± 0.001° |
| β | 97.807 ± 0.001° |
| γ | 118.466 ± 0.001° |
| Cell volume | 2895.1 ± 0.3 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 187 ± 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 | 0.0946 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018153.cif |
| 179885 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81. |
7018153.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018153.cif |
| 37666 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018153, 7018154 via cif-deposit CGI script. |
7018153.cif |
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