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Information card for entry 4087379
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Coordinates | 4087379.cif |
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Original paper (by DOI) | HTML |
Chemical name | [1,2-Bis(diphenylphosphino)ethane]palladium(II)diisobutyl |
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Formula | C34 H42 P2 Pd |
Calculated formula | C34 H42 P2 Pd |
SMILES | [Pd]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(CC(C)C)CC(C)C |
Title of publication | Experimental Gas-Phase andin SilicoInvestigation of β-Methyl Elimination from Cationic Palladium Alkyl Species |
Authors of publication | Zhugralin, Adil R.; Kobylianskii, Ilia J.; Chen, Peter |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 7 |
Pages of publication | 1301 |
a | 10.2095 ± 0.0003 Å |
b | 10.6323 ± 0.0004 Å |
c | 13.9049 ± 0.0004 Å |
α | 81.098 ± 0.001° |
β | 86.575 ± 0.001° |
γ | 87.785 ± 0.001° |
Cell volume | 1487.88 ± 0.08 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0299 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
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/4087379.html
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