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Information card for entry 4083374
Preview
Coordinates | 4083374.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H12 Cl13 D13 N4 Pd2 |
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Calculated formula | C29 H12 Cl13 D13 N4 Pd2 |
SMILES | [Pd]1(c2cc(Cl)ccc2C=[N]1CC[N]1[Pd](c2c(C=1)ccc(Cl)c2)(Cl)[n]1c([2H])c([2H])c([2H])c([2H])c1[2H])(Cl)[n]1c([2H])c([2H])c([2H])c([2H])c1[2H].C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl |
Title of publication | A New Family of Doubly Cyclopalladated Diimines. A Remarkable Effect of the Linker between the Metalated Units on Their Cytotoxicity |
Authors of publication | Albert, Joan; Bosque, Ramon; Cadena, Magali; D’Andrea, Lucía; Granell, Jaume; González, Asensio; Quirante, Josefina; Calvis, Carmen; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardia, Mercè |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 11 |
Pages of publication | 2862 |
a | 11.279 ± 0.005 Å |
b | 17.485 ± 0.005 Å |
c | 20.611 ± 0.007 Å |
α | 90° |
β | 92.57 ± 0.02° |
γ | 90° |
Cell volume | 4061 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0365 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.0916 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083374.html
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Users of the data should acknowledge the original authors of the
structural data.