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Information card for entry 7233891
Preview
| Coordinates | 7233891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H52 Dy4 N26 O23 |
|---|---|
| Calculated formula | C54 H52 Dy4 N26 O23 |
| SMILES | [Dy]12345([n]6ccccc6c6n1[n]1[Dy]789([OH][Dy]%10%11%12%13([OH]7)([n]7ccccc7c7n%10[n]%10[Dy]%14%15%16([n]%17c(c%10n7)cccc%17)([n]7n%12c(nc7c7[n]%14cccc7)c7[n]%11cccc7)([O]=N(=O)O%15)(ON(=[O]%16)=O)[OH]CC)ON(=[O]%13)=O)([n]7c(c1n6)cccc7)([n]1n3c(nc1c1[n]8cccc1)c1[n]2cccc1)ON(=[O]9)=O)(ON(=[O]4)=O)(ON(=[O]5)=O)[OH]CC.OCC |
| Title of publication | A zigzag DyIII4 cluster exhibiting single-molecule magnet, ferroelectric and white-light emitting properties |
| Authors of publication | Peng-Hu Guo; Yan Meng; Yan-Cong Chen; Quan-Wen Li; Bao-Ying Wang; Ji-Dong Leng; Ding-Hua Bao; Jian-Hua Jia; Ming-Liang Tong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 8858 - 8864 |
| a | 13.7842 ± 0.0019 Å |
| b | 20.256 ± 0.003 Å |
| c | 24.952 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6966.9 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233891.cif |
| 218348 | 2019-09-17 | cif/ Adding structures of 7233891 via cif-deposit CGI script. |
7233891.cif |
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