Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7046117
Preview
| Coordinates | 7046117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H46 Cl2 Cu2 N6 O5 |
|---|---|
| Calculated formula | C36 H46 Cl2 Cu2 N6 O5 |
| Title of publication | Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease. |
| Authors of publication | Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 21 |
| Pages of publication | 7190 - 7205 |
| a | 7.3255 ± 0.0005 Å |
| b | 9.7556 ± 0.0005 Å |
| c | 14.3516 ± 0.0009 Å |
| α | 101.145 ± 0.005° |
| β | 90.371 ± 0.005° |
| γ | 108.493 ± 0.006° |
| Cell volume | 951.79 ± 0.11 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046117.cif |
| 229895 | 2019-11-17 | cif/ Updating files of 7046115, 7046116, 7046117, 7046118 Original log message: Adding full bibliography for 7046115--7046118.cif. |
7046117.cif |
| 207487 | 2018-04-26 | cif/ Adding structures of 7046115, 7046116, 7046117, 7046118 via cif-deposit CGI script. |
7046117.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.