Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2015641
Preview
| Coordinates | 2015641.cif |
|---|---|
| Structure factors | 2015641.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]dibromopalladium(II) |
|---|---|
| Formula | C42 H26 Br2 F10 N4 Pd |
| Calculated formula | C42 H26 Br2 F10 N4 Pd |
| SMILES | C1(N(c2ccccc2N1Cc1ccccc1)Cc1c(F)c(F)c(F)c(F)c1F)=[Pd](Br)(=C1N(c2ccccc2N1Cc1ccccc1)Cc1c(F)c(F)c(F)c(F)c1F)Br |
| Title of publication | <i>trans</i>-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]dibromopalladium(II) |
| Authors of publication | Aytaç Gürhan Gökçe; Gülcemal, Süleyman; Aygün, Muhittin; Çetinkaya, Bekir; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 11 |
| Pages of publication | m535 - m537 |
| a | 11.6122 ± 0.0008 Å |
| b | 12.1401 ± 0.0009 Å |
| c | 13.659 ± 0.0011 Å |
| α | 92.589 ± 0.006° |
| β | 95.61 ± 0.006° |
| γ | 92.52 ± 0.006° |
| Cell volume | 1912.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1331 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| 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/2015641.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.