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Information card for entry 4068295
Preview
Coordinates | 4068295.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H39 Br O2 P2 Pd |
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Calculated formula | C30 H39 Br O2 P2 Pd |
SMILES | [Pd]12(Br)[P](Oc3c(c4c2c(ccc4)c2c(O[P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C |
Title of publication | m-Terphenyl Anchored Palladium Diphosphinite PCP-Pincer Complexes That Promote the Suzuki−Miyaura Reaction Under Mild Conditions |
Authors of publication | Lipke, Mark C.; Woloszynek, Robert A.; Ma, Liqing; Protasiewicz, John D. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 188 |
a | 9.2586 ± 0.0001 Å |
b | 16.0146 ± 0.0002 Å |
c | 19.3448 ± 0.0003 Å |
α | 90° |
β | 95.296 ± 0.001° |
γ | 90° |
Cell volume | 2856.06 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.019 |
Residual factor for significantly intense reflections | 0.0173 |
Weighted residual factors for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections included in the refinement | 0.0454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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