Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7227763
Preview
| Coordinates | 7227763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H26 Cl2 N4 O10 Pb2 S2 |
|---|---|
| Calculated formula | C36 H26 Cl2 N4 O10 Pb2 S2 |
| SMILES | [Pb]1234(OS5(=O)=[O][Pb]67([O]1c1ccc(Cl)cc51)(OS(=O)(=[O]3)c1c([O]46)ccc(Cl)c1)[n]1cccc3c1c1[n]7cccc1cc3)[n]1cccc3c1c1[n]2cccc1cc3.O.O |
| Title of publication | Effect of ligand configurations, secondary Pb–O interactions and auxiliary ligands on Pb(ii)–mono/disulfonate complexes: syntheses, structures, and luminescence properties |
| Authors of publication | Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 13 |
| Pages of publication | 1778 |
| a | 9.3621 ± 0.0006 Å |
| b | 9.7551 ± 0.0005 Å |
| c | 10.9477 ± 0.0008 Å |
| α | 80.577 ± 0.005° |
| β | 69.059 ± 0.006° |
| γ | 88.515 ± 0.005° |
| Cell volume | 920.62 ± 0.11 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7227763.cif |
| 195030 | 2017-04-05 | cif/ Updating files of 7227757, 7227758, 7227759, 7227760, 7227761, 7227762, 7227763, 7227764 Original log message: Adding full bibliography for 7227757--7227764.cif. |
7227763.cif |
| 192702 | 2017-03-02 | cif/ Adding structures of 7227757, 7227758, 7227759, 7227760, 7227761, 7227762, 7227763, 7227764 via cif-deposit CGI script. |
7227763.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.