Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4338822
Preview
Coordinates | 4338822.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H50 Cu4 N10 O16 |
---|---|
Calculated formula | C50 H50 Cu4 N10 O16 |
SMILES | C1(N[N]2[Cu]34([O]=1)[O]1c5c(C=2)cc(cc5C=[N]2NC(=[O][Cu]12(ON(=O)=O)[O]3(C)[Cu]123[N](=Cc5c6[O]2[Cu]2([N](NC(=[O]2)c2ccccc2)=Cc6cc(c5)C)(ON(=O)=O)[O]43C)NC(c2ccccc2)=[O]1)c1ccccc1)C)c1ccccc1.OC.OC |
Title of publication | Differentially selective chemosensor with fluorescence off-on responses on cu(2+) and zn(2+) ions in aqueous media and applications in pyrophosphate sensing, live cell imaging, and cytotoxicity. |
Authors of publication | Anbu, Sellamuthu; Ravishankaran, Rajendran; Guedes da Silva, M Fátima C; Karande, Anjali A.; Pombeiro, Armando J. L. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 13 |
Pages of publication | 6655 - 6664 |
a | 8.9232 ± 0.0005 Å |
b | 15.2216 ± 0.001 Å |
c | 19.3282 ± 0.0013 Å |
α | 90° |
β | 94.197 ± 0.003° |
γ | 90° |
Cell volume | 2618.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.1023 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4338822.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.