Information card for entry 2019813
Chemical name |
(μ-<i>N</i>,<i>N</i>'-Dibenzyldithiooxamidato-κ<i>N</i>,<i>S</i>:<i>N</i>',<i>S</i>')bis[(η^3^-crotyl)palladium(II)] |
Formula |
C24 H28 N2 Pd2 S2 |
Calculated formula |
C24 H28 N2 Pd2 S2 |
SMILES |
S1C2C(S[Pd]34(C[CH]3=[CH]4C)[N]=2Cc2ccccc2)=[N]([Pd]231[CH](=[CH]2C)C3)Cc1ccccc1 |
Title of publication |
Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)] |
Authors of publication |
Bruno, Giuseppe; Lanza, Santo; Giannetto, Antonino; Sacca, Alessandro; Amiri Rudbari, Hadi |
Journal of publication |
Acta Crystallographica Section E Crystallographic Communications |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
2 |
Pages of publication |
m40 |
a |
18.324 ± 0.0002 Å |
b |
7.166 ± 0.0001 Å |
c |
19.508 ± 0.0002 Å |
α |
90° |
β |
109.341 ± 0.004° |
γ |
90° |
Cell volume |
2417.03 ± 0.08 Å3 |
Cell temperature |
298 ± 1 K |
Ambient diffraction temperature |
298 ± 1 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0338 |
Residual factor for significantly intense reflections |
0.0314 |
Weighted residual factors for all reflections included in the refinement |
0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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