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Information card for entry 7037157
Preview
| Coordinates | 7037157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H62 Dy2 N8 O22 |
|---|---|
| Calculated formula | C62 H62 Dy2 N8 O22 |
| SMILES | C1(=[O][Dy]234567([N](=Cc8c9[O]3[Dy]3%10%11([N](=Cc%12c([O]4%10)c([O]5C)ccc%12)NC(N/N=C/c4c(c(OC)ccc4)O)=[O]%11)([O]=C(c4ccccc4)O3)([O](C)c9ccc8)([O]=C(O7)c3ccccc3)OC(=[O]6)c3ccccc3)NC(=[O]2)N/N=C/c2c(c(OC)ccc2)O)O1)c1ccccc1.O.O.O.O |
| Title of publication | A Dy2 single-molecule magnet with benzoate anions and phenol-O(-) bridging groups. |
| Authors of publication | Ke, Hongshan; Zhang, Sheng; Li, Xin; Wei, Qing; Xie, Gang; Wang, Wenyuan; Chen, Sanping |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 48 |
| Pages of publication | 21025 - 21031 |
| a | 13.432 ± 0.002 Å |
| b | 10.503 ± 0.002 Å |
| c | 24.428 ± 0.004 Å |
| α | 90° |
| β | 98.478 ± 0.004° |
| γ | 90° |
| Cell volume | 3408.6 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1904 |
| Residual factor for significantly intense reflections | 0.1549 |
| Weighted residual factors for significantly intense reflections | 0.2116 |
| Weighted residual factors for all reflections included in the refinement | 0.2222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.577 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037157.cif |
| 171146 | 2015-12-09 | cif/ Updating files of 7037157 Original log message: Adding full bibliography for 7037157.cif. |
7037157.cif |
| 170242 | 2015-11-12 | cif/ Adding structures of 7037157 via cif-deposit CGI script. |
7037157.cif |
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