Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229321
Preview
Coordinates | 2229321.cif |
---|---|
Structure factors | 2229321.hkl |
Original IUCr paper | HTML |
Chemical name | [<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)- <i>N</i>-(2,6-dimethylphenyl)anilinido- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc |
---|---|
Formula | C21 H29 N3 Zn |
Calculated formula | C21 H29 N3 Zn |
SMILES | c12N(c3c(cccc3C)C)[Zn]3([N](=Cc2cccc1)CC[N]3(C)C)CC |
Title of publication | [<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)-<i>N</i>-(2,6-dimethylphenyl)anilinido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc |
Authors of publication | Issa-Madongo, Mathurin; Mu, Ying |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 3 |
Pages of publication | m364 |
a | 7.3664 ± 0.0015 Å |
b | 13.849 ± 0.003 Å |
c | 20.296 ± 0.004 Å |
α | 90° |
β | 99.26 ± 0.03° |
γ | 90° |
Cell volume | 2043.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.126 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for significantly intense reflections | 0.1577 |
Weighted residual factors for all reflections included in the refinement | 0.189 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/2229321.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.