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Information card for entry 2228763
Preview
Coordinates | 2228763.cif |
---|---|
Structure factors | 2228763.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-(Pyridin-2-ylcarbonimidodithioato- κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)palladium(II) |
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Formula | C42 H34 N2 P2 Pd S2 |
Calculated formula | C42 H34 N2 P2 Pd S2 |
SMILES | [Pd]1(SC(=N\c2ncccc2)/S1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | <i>cis</i>-(Pyridin-2-ylcarbonimidodithioato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)palladium(II) |
Authors of publication | Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m46 |
a | 10.9163 ± 0.001 Å |
b | 12.7235 ± 0.0012 Å |
c | 15.7104 ± 0.0014 Å |
α | 102.609 ± 0.001° |
β | 107.672 ± 0.001° |
γ | 108.567 ± 0.001° |
Cell volume | 1847.2 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for significantly intense reflections | 0.0517 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228763.html
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Users of the data should acknowledge the original authors of the
structural data.