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Information card for entry 4101773
Preview
Coordinates | 4101773.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H66 Br4 P2 Pd2 |
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Calculated formula | C36 H66 Br4 P2 Pd2 |
SMILES | c1(ccccc1)[Pd]1([Br][Pd](c2ccccc2)([Br]1)Br)Br.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C |
Title of publication | Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction |
Authors of publication | Brad P. Carrow; John. F. Hartwig |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 79 - 81 |
a | 9.527 ± 0.002 Å |
b | 19.163 ± 0.004 Å |
c | 12.549 ± 0.003 Å |
α | 90° |
β | 110.754 ± 0.003° |
γ | 90° |
Cell volume | 2142.4 ± 0.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4101773.html
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