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Information card for entry 4071624
Preview
Coordinates | 4071624.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H19 Cl N P Pd S2 |
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Calculated formula | C25 H19 Cl N P Pd S2 |
SMILES | [Pd]12(c3c(C(=[S]1)Nc1ccccc1)cccc3P(=[S]2)(c1ccccc1)c1ccccc1)Cl |
Title of publication | Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties |
Authors of publication | Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 16 |
Pages of publication | 4062 |
a | 13.0603 ± 0.0006 Å |
b | 13.7939 ± 0.0007 Å |
c | 13.2593 ± 0.0007 Å |
α | 90° |
β | 109.845 ± 0.005° |
γ | 90° |
Cell volume | 2246.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0422 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4071624.html
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