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Information card for entry 7018154
Preview
| Coordinates | 7018154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126 H112 Gd4 N4 O34 |
|---|---|
| Calculated formula | C126 H112 Gd4 N4 O34 |
| SMILES | O1C(=[O][Gd]23(OC(c4ccccc4)=[O][Gd]4561([N](=Cc1c(c(cc(c1)C)/C=N/Cc1occc1)[OH]4)Cc1occc1)([O]=C(O5)c1ccccc1)[O]=C(O6)c1ccccc1)(OC(=[O]2)c1ccccc1)(OC(c1ccccc1)=[O][Gd]12(OC(=[O][Gd]456([N](=Cc7c(c(cc(c7)C)/C=N/Cc7occc7)[OH]4)Cc4occc4)([O]=C(O5)c4ccccc4)([O]=C(O6)c4ccccc4)[O]=C(c4ccccc4)O1)c1ccccc1)(OC(=[O]2)c1ccccc1)([O]=C(O3)c1ccccc1)([OH]C)[OH]C)([OH]C)[OH]C)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 | 15.3896 ± 0.0011 Å |
| b | 15.6333 ± 0.0012 Å |
| c | 15.922 ± 0.002 Å |
| α | 111.269 ± 0.002° |
| β | 97.922 ± 0.001° |
| γ | 118.344 ± 0.001° |
| Cell volume | 2908.7 ± 0.5 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.0922 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179885 (current) | 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. |
7018154.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018154.cif |
| 37666 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018153, 7018154 via cif-deposit CGI script. |
7018154.cif |
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Users of the data should acknowledge the original authors of the
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