Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039611
Preview
| Coordinates | 7039611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [L1Cu(OH2)]ClO4 |
|---|---|
| Chemical name | [([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate |
| Formula | C12 H18 Cl2 Cu N6 O9 |
| Calculated formula | C12 H18 Cl2 Cu N6 O9 |
| SMILES | [Cu]123([OH2])[n]4c(n(cc4)C)C=[N]1CC[N]2=Cc1[n]3ccn1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds. |
| Authors of publication | Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 40 |
| Pages of publication | 15791 - 15799 |
| a | 8.227 ± 0.003 Å |
| b | 11.003 ± 0.004 Å |
| c | 11.441 ± 0.004 Å |
| α | 78.99 ± 0.03° |
| β | 70.69 ± 0.03° |
| γ | 88.76 ± 0.03° |
| Cell volume | 958.4 ± 0.6 Å3 |
| Cell temperature | 100.1 ± 1 K |
| Ambient diffraction temperature | 100.1 ± 1 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039611.cif |
| 188219 | 2016-11-08 | cif/ Updating files of 7039610, 7039611, 7039612, 7039613, 7039614, 7039615 Original log message: Adding full bibliography for 7039610--7039615.cif. |
7039611.cif |
| 183868 | 2016-06-23 | cif/ Adding structures of 7039610, 7039611, 7039612, 7039613, 7039614, 7039615 via cif-deposit CGI script. |
7039611.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.