Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550937
Preview
| Coordinates | 1550937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H24 Br4 Ho N5 O5 |
|---|---|
| Calculated formula | C32 H24 Br4 Ho N5 O5 |
| SMILES | [Ho]1234(Oc5c6[n]1c(C)ccc6c(Br)cc5Br)(Oc1c5[n]2c(ccc5c(Br)cc1Br)C)(ON(=O)=[O]3)[n]1c(c2[n]4ccc(c2)C)cc(cc1)C |
| Title of publication | Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents. |
| Authors of publication | Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua |
| Journal of publication | Metallomics : integrated biometal science |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1005 - 1015 |
| a | 29.5503 ± 0.0011 Å |
| b | 29.9584 ± 0.0012 Å |
| c | 16.0497 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14208.5 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1372 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1550937.cif |
| 224653 | 2019-11-08 | cif/ Updating files of 1550936, 1550937, 1550938, 1550939, 1550940 Original log message: Adding full bibliography for 1550936--1550940.cif. |
1550937.cif |
| 214759 | 2019-04-25 | cif/ Adding structures of 1550936, 1550937, 1550938, 1550939, 1550940 via cif-deposit CGI script. |
1550937.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.