Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229172
Preview
| Coordinates | 7229172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H52 Cl10 Dy2 N8 O6 |
|---|---|
| Calculated formula | C56 H52 Cl10 Dy2 N8 O6 |
| SMILES | [N]12=Cc3cc(ccc3O[Dy]345671[N](=Cc1c(O3)ccc(c1)Cl)CC[N]15C3c5cc(ccc5[O]7[Dy]5789%10([N]3(CC1)CC[N]5=Cc1cc(ccc1O%10)Cl)[N]1(C(c3cc(ccc3[O]69)Cl)[N]4(CC1)CC2)CC[N]7=Cc1c(O8)ccc(c1)Cl)Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand |
| Authors of publication | Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 12.8652 ± 0.0016 Å |
| b | 13.2912 ± 0.0018 Å |
| c | 21.1257 ± 0.0018 Å |
| α | 90° |
| β | 119.797 ± 0.005° |
| γ | 90° |
| Cell volume | 3134.8 ± 0.7 Å3 |
| 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 | 0.068 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229172.cif |
| 200913 | 2017-09-15 | cif/ Adding structures of 7229172, 7229173 via cif-deposit CGI script. |
7229172.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.