Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4335338
Preview
Coordinates | 4335338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 Cu N4 O10 U |
---|---|
Calculated formula | C19 H20 Cu N4 O10 U |
SMILES | c12ccccc1C(C)=[N]1[Cu]34[O]2[U]25(=O)(ON(=[O]2)=O)(ON(=[O]5)=O)([O]3c2ccccc2C(C)=[N]4CCC1)=O |
Title of publication | Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations |
Authors of publication | Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 7508 - 7523 |
a | 18.525 ± 0.0019 Å |
b | 20.136 ± 0.002 Å |
c | 6.1995 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2312.5 ± 0.4 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1132 |
Residual factor for significantly intense reflections | 0.095 |
Weighted residual factors for significantly intense reflections | 0.2702 |
Weighted residual factors for all reflections included in the refinement | 0.2824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
Diffraction radiation probe | x-ray |
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/4335338.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.