Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2209980
Preview
Coordinates | 2209980.cif |
---|---|
Structure factors | 2209980.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[N-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato- κ^2^N,N']zinc(II) |
---|---|
Formula | C34 H14 Br4 F12 N4 O4 S2 Zn |
Calculated formula | C34 H14 Br4 F12 N4 O4 S2 Zn |
SMILES | Brc1c2N([Zn]4(N(c3c(Br)cc(Br)c5ccc[n]4c35)S(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[n]3cccc(c(Br)c1)c23)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Bis[<i>N</i>-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II) |
Authors of publication | Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 8 |
Pages of publication | m1901 - m1903 |
a | 11.7057 ± 0.0006 Å |
b | 12.4768 ± 0.0006 Å |
c | 14.0759 ± 0.0007 Å |
α | 90.091 ± 0.004° |
β | 100.293 ± 0.004° |
γ | 100.519 ± 0.004° |
Cell volume | 1987.46 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/2209980.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.