Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543205
Preview
| Coordinates | 1543205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H48 Cl12 Gd2 O33 |
|---|---|
| Calculated formula | C42 H48 Cl12 Gd2 O33 |
| SMILES | [Gd]1([O]=C(O[Gd]([O]=C(O1)c1c(O)c(Cl)cc(Cl)c1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])c1c(O)c(Cl)cc(Cl)c1)(OC(=O)c1c(O)c(Cl)cc(Cl)c1)([OH2])([OH2])([OH2])([OH2])[OH2].Clc1cc(Cl)c(O)c(C(=O)[O-])c1.Clc1c(O)c(C(=O)[O-])cc(Cl)c1.[O-]C(=O)c1c(O)c(Cl)cc(Cl)c1.O.O.O.O |
| Title of publication | A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing. |
| Authors of publication | Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2016 |
| Journal volume | 15 |
| Journal issue | 6 |
| Pages of publication | 744 - 751 |
| a | 11.2461 ± 0.0002 Å |
| b | 32.8782 ± 0.0005 Å |
| c | 16.8424 ± 0.0003 Å |
| α | 90° |
| β | 97.574 ± 0.002° |
| γ | 90° |
| Cell volume | 6173.17 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0425 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.633 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543205.cif |
| 183789 | 2016-06-18 | cif/ Updating files of 1543204, 1543205, 1543206 Original log message: Adding full bibliography for 1543204--1543206.cif. |
1543205.cif |
| 182371 | 2016-04-28 | cif/ Adding structures of 1543204, 1543205, 1543206 via cif-deposit CGI script. |
1543205.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.