Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039612
Preview
Coordinates | 7039612.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [L2Cu(HOCH3)][ClO4]2 |
---|---|
Chemical name | [([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate |
Formula | C14 H24 Cl2 Cu N6 O10 |
Calculated formula | C14 H24 Cl2 Cu N6 O10 |
SMILES | [Cu]123([OH]C)[n]4c(n(cc4)C)C(OC)[NH]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 | 13.0049 ± 0.0003 Å |
b | 11.5913 ± 0.0002 Å |
c | 15.1039 ± 0.0004 Å |
α | 90° |
β | 104.371 ± 0.003° |
γ | 90° |
Cell volume | 2205.57 ± 0.09 Å3 |
Cell temperature | 100.1 ± 0.6 K |
Ambient diffraction temperature | 100.1 ± 0.6 K |
Number of distinct elements | 6 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039612.html
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.