Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2213486
Preview
Coordinates | 2213486.cif |
---|---|
Structure factors | 2213486.hkl |
Original IUCr paper | HTML |
Chemical name | [2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato- κ^4^O,N,N',O'](pyridine-κN)zinc(II) |
---|---|
Formula | C25 H19 N3 O2 Zn |
Calculated formula | C25 H19 N3 O2 Zn |
SMILES | [Zn]123(Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)[n]1ccccc1 |
Title of publication | {2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(pyridine-κ<i>N</i>)zinc(II) |
Authors of publication | Naser Eltaher Eltayeb; Siang Guan Teoh; Shea-Lin Ng; Hoong-Kun Fun; Kamarulazizi Ibrahim |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | m1284 - m1285 |
a | 17.8611 ± 0.0003 Å |
b | 11.9929 ± 0.0003 Å |
c | 9.4946 ± 0.0002 Å |
α | 90° |
β | 95.54 ± 0.001° |
γ | 90° |
Cell volume | 2024.3 ± 0.07 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0645 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.095 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2213486.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.