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Information card for entry 4350752
Preview
Coordinates | 4350752.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H39 Cl O2 P2 Pd |
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Calculated formula | C26 H39 Cl O2 P2 Pd |
SMILES | C1(CCCC1)[P]1([Pd]2(Cl)c3c(cccc3O[P]2(C2CCCC2)C2CCCC2)O1)C1CCCC1 |
Title of publication | Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes |
Authors of publication | Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong |
Journal of publication | Inorg. Chem. Front. |
Year of publication | 2014 |
Journal volume | 1 |
Journal issue | 1 |
Pages of publication | 71 |
a | 21.578 ± 0.002 Å |
b | 21.578 ± 0.002 Å |
c | 11.5095 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5358.9 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 122 |
Hermann-Mauguin space group symbol | I -4 2 d |
Hall space group symbol | I -4 2bw |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.8856 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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