Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229559
Preview
Coordinates | 2229559.cif |
---|---|
Structure factors | 2229559.hkl |
Original IUCr paper | HTML |
Chemical name | [(1<i>R</i>*,2<i>S</i>*)-<i>N</i>^1^-Benzyl-2-phenyl-1-(pyridin-2-yl)- <i>N</i>^2^-(pyridin-2-ylmethyl)ethane-1,2-diamine]dichloridozinc(II) |
---|---|
Formula | C26 H26 Cl2 N4 Zn |
Calculated formula | C26 H26 Cl2 N4 Zn |
SMILES | [Zn]12(Cl)(Cl)[NH]([C@@H]([C@H]([NH]1Cc1[n]2cccc1)c1ccccc1)c1ncccc1)Cc1ccccc1.[Zn]12(Cl)(Cl)[NH]([C@H]([C@@H]([NH]1Cc1[n]2cccc1)c1ccccc1)c1ncccc1)Cc1ccccc1 |
Title of publication | [(1<i>R</i>*,2<i>S</i>*)-<i>N</i>^1^-Benzyl-2-phenyl-1-(pyridin-2-yl)-<i>N</i>^2^-(pyridin-2-ylmethyl)ethane-1,2-diamine]dichloridozinc(II) |
Authors of publication | Bortoluzzi, Adailton J.; Mireski, Sandro L.; Joussef, Antonio C. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 3 |
Pages of publication | m337 - m338 |
a | 9.1716 ± 0.0014 Å |
b | 28.888 ± 0.002 Å |
c | 10.4304 ± 0.0012 Å |
α | 90° |
β | 109.541 ± 0.008° |
γ | 90° |
Cell volume | 2604.4 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1277 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1362 |
Weighted residual factors for all reflections included in the refinement | 0.1688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71069 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/2229559.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.