Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7152049
Preview
Coordinates | 7152049.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H22 Cu N6 O8 |
---|---|
Calculated formula | C24 H22 Cu N6 O8 |
SMILES | [Cu]123([OH]c4c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)c1c(cc4)cc(cc1)C#N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Mononuclear Zn(ii)- and Cu(ii)-complexes of a hydroxynaphthalene-derived dipicolylamine: fluorescent sensing behaviours toward pyrophosphate ions. |
Authors of publication | Roy, Basab; Rao, Alla Sreenivasa; Ahn, Kyo Han |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 22 |
Pages of publication | 7774 - 7779 |
a | 8.096 ± 0.001 Å |
b | 8.215 ± 0.001 Å |
c | 18.205 ± 0.002 Å |
α | 84.374 ± 0.006° |
β | 81.515 ± 0.005° |
γ | 79.197 ± 0.005° |
Cell volume | 1173.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7152049.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.