Information card for entry 7035758
| Chemical name |
KmTB |
| Formula |
C20 H26 N4 S2 |
| Calculated formula |
C20 H26 N4 S2 |
| Title of publication |
Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex. |
| Authors of publication |
Tyson, Ginger E.; Tokmic, Kenan; Oian, Casey S.; Rabinovich, Daniel; Valle, Henry U.; Hollis, T. Keith; Kelly, John T.; Cuellar, Kristina A.; McNamara, Louis E.; Hammer, Nathan I.; Webster, Charles Edwin; Oliver, Allen G.; Zhang, Min |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2015 |
| Journal volume |
44 |
| Journal issue |
32 |
| Pages of publication |
14475 - 14482 |
| a |
22.212 ± 0.002 Å |
| b |
6.9974 ± 0.0006 Å |
| c |
26.698 ± 0.002 Å |
| α |
90° |
| β |
92.585 ± 0.002° |
| γ |
90° |
| Cell volume |
4145.3 ± 0.6 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
4 |
| 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 |
0.0601 |
| Residual factor for significantly intense reflections |
0.0395 |
| Weighted residual factors for significantly intense reflections |
0.0837 |
| Weighted residual factors for all reflections included in the refinement |
0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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