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Information card for entry 4349676
Preview
| Coordinates | 4349676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C118 H108 Dy4 N16 O16 S6 |
|---|---|
| Calculated formula | C118 H108 Dy4 N16 O16 S6 |
| SMILES | [n]12cccc3c(/N=C/c4sccc4C)ccc([O]4[Dy]56781([O]1c9ccc(/N=C/c%10sccc%10C)c%10ccc[n](c9%10)[Dy]9%10%11%121([OH]6[Dy]146%13([n]4cccc%14c(/N=C/c%15sccc%15C)ccc([O]1[Dy]1%15%16([n]%17cccc%18c(ccc(c%17%18)[O]%111)/N=C/c1sccc1C)([n]1cccc%11c(/N=C/c%17sccc%17C)ccc([O]%12%16)c1%11)([O]=C(C)C=C(O%15)C)[OH]%10%13)c4%14)([O]8c1ccc(c4ccc[n]7c14)/N=C/c1sccc1C)[O]=C(C)C=C(O6)C)[O]=C(C)C=C(O9)C)[O]=C(C)C=C(O5)C)c23.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands |
| Authors of publication | Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 860 |
| a | 12.4701 ± 0.0018 Å |
| b | 14.82 ± 0.002 Å |
| c | 31.502 ± 0.005 Å |
| α | 90° |
| β | 98.786 ± 0.002° |
| γ | 90° |
| Cell volume | 5753.5 ± 1.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.2103 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235732 (current) | 2019-11-24 | cif/ Adding structures of 4349667, 4349668, 4349669, 4349670, 4349671, 4349672, 4349673, 4349674, 4349675, 4349676 via cif-deposit CGI script. |
4349676.cif |
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Users of the data should acknowledge the original authors of the
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