Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027457
Preview
Coordinates | 7027457.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H44 Cl2 Cu N4 O10 |
---|---|
Calculated formula | C20 H44 Cl2 Cu N4 O10 |
SMILES | [Cu]123[NH]4CC[N]1([C@@H](CC([NH]2CC[N]3([C@@H](CC4(C)C)C)CCO)(C)C)C)CCO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Cu]123[NH]4CC[N]1([C@H](CC([NH]2CC[N]3([C@H](CC4(C)C)C)CCO)(C)C)C)CCO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Copper(II) complexes of tetraaza macrocycles bearing pendant arms: syntheses, structures and properties |
Authors of publication | Aneetha, Halikhedkar; Lai, Ying-Huang; Lin, Shih-Chi; Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chung, Chung-Sun |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 16 |
Pages of publication | 2885 |
a | 8.5256 ± 0.0005 Å |
b | 15.5111 ± 0.0009 Å |
c | 10.8567 ± 0.0006 Å |
α | 90° |
β | 101.176 ± 0.001° |
γ | 90° |
Cell volume | 1408.48 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0529 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1325 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7027457.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.