Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4301640
Preview
Coordinates | 4301640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H36 Cl Cu2 N4 Na O12 |
---|---|
Calculated formula | C26 H32 Cl Cu2 N4 Na O12 |
SMILES | c12ccccc1C=[N]1[C@H](C(=O)O[Cu]31[O]2[Cu]12[N](=Cc4c(cccc4)[O]31)[C@H](C(=O)O2)CCCCN)CCCCN.O=Cl(=O)(=O)[O-].O.[Na+].O |
Title of publication | Highly Selective Fluorescence Detection of Cu2+ in Water by Chiral Dimeric Zn2+ Complexes through Direct Displacement |
Authors of publication | Snehadrinarayan Khatua; Shin Hei Choi; Junseong Lee; Jung Oh Huh; Youngkyu Do; David G. Churchill |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 1799 - 1801 |
a | 17.1452 ± 0.0007 Å |
b | 8.7748 ± 0.0004 Å |
c | 23.3633 ± 0.001 Å |
α | 90° |
β | 94.655 ± 0.002° |
γ | 90° |
Cell volume | 3503.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0773 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1805 |
Weighted residual factors for all reflections included in the refinement | 0.1978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4301640.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.