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Information card for entry 4514896
Preview
Coordinates | 4514896.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H46 Cl2 P2 Pd |
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Calculated formula | C38 H46 Cl2 P2 Pd |
SMILES | C1(C(C1(C)C)(C)C)[P](c1ccccc1)(c1ccccc1)[Pd](Cl)([P](C1C(C1(C)C)(C)C)(c1ccccc1)c1ccccc1)Cl |
Title of publication | Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates |
Authors of publication | Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 9764 |
a | 9.4779 ± 0.0005 Å |
b | 9.5662 ± 0.0003 Å |
c | 11.438 ± 0.0004 Å |
α | 69.891 ± 0.003° |
β | 65.634 ± 0.004° |
γ | 67.434 ± 0.004° |
Cell volume | 850.88 ± 0.07 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 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 | 0.024 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0529 |
Weighted residual factors for all reflections included in the refinement | 0.0535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4514896.html
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