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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) |
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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
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