Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7049007
Preview
| Coordinates | 7049007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H25 Cl2 Cu N6 O10.5 |
|---|---|
| Calculated formula | C18 H25 Cl2 Cu N6 O10.5 |
| Title of publication | Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction. |
| Authors of publication | Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 11 |
| Pages of publication | 3743 - 3757 |
| a | 10.449 ± 0.009 Å |
| b | 10.657 ± 0.01 Å |
| c | 12.324 ± 0.011 Å |
| α | 104.9 ± 0.02° |
| β | 100.698 ± 0.019° |
| γ | 93.163 ± 0.019° |
| Cell volume | 1295 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7049007.cif |
| 224532 | 2019-11-08 | cif/ Updating files of 7049003, 7049004, 7049005, 7049006, 7049007 Original log message: Adding full bibliography for 7049003--7049007.cif. |
7049007.cif |
| 213615 | 2019-02-13 | cif/ Adding structures of 7049003, 7049004, 7049005, 7049006, 7049007 via cif-deposit CGI script. |
7049007.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.