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Information card for entry 1514858
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Coordinates | 1514858.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Dichlorobis(3-benzyl-1-butylimdazolium)palladium(II) |
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Formula | C28 H36 Cl2 N4 Pd |
Calculated formula | C28 H36 Cl2 N4 Pd |
SMILES | [Pd](Cl)(Cl)(=C1N(Cc2ccccc2)C=CN1CCCC)=C1N(Cc2ccccc2)C=CN1CCCC |
Title of publication | Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies. |
Authors of publication | Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul |
Journal of publication | Metallomics : integrated biometal science |
Year of publication | 2013 |
Journal volume | 5 |
Journal issue | 6 |
Pages of publication | 760 - 769 |
a | 11.629 ± 0.003 Å |
b | 8.662 ± 0.002 Å |
c | 16.71 ± 0.003 Å |
α | 90° |
β | 122.315 ± 0.013° |
γ | 90° |
Cell volume | 1422.5 ± 0.6 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 | 0.0599 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1542 |
Weighted residual factors for all reflections included in the refinement | 0.1681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1514858.html
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