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Information card for entry 1547635
Preview
Coordinates | 1547635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H54 N P2 Pd |
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Calculated formula | C25 H54 N P2 Pd |
Title of publication | Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes |
Authors of publication | Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 12.6035 ± 0.0003 Å |
b | 17.2591 ± 0.0004 Å |
c | 25.6455 ± 0.0005 Å |
α | 90.2601 ± 0.0018° |
β | 90.0672 ± 0.0018° |
γ | 90.8113 ± 0.0019° |
Cell volume | 5577.9 ± 0.2 Å3 |
Cell temperature | 100 ± 0.11 K |
Ambient diffraction temperature | 100 ± 0.11 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0842 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1272 |
Weighted residual factors for all reflections included in the refinement | 0.1373 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547635.html
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structural data.