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Information card for entry 4069024
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Coordinates | 4069024.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H33 Br P2 Pd |
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Calculated formula | C34 H33 Br P2 Pd |
SMILES | [Pd]1(Br)([P](c2ccccc2)(c2ccccc2)C)[CH]([P+](c2ccccc2)(c2ccccc2)C)=[CH]1c1ccccc1 |
Title of publication | Mechanism of C−P Reductive Elimination fromtrans-[Pd(CHCHPh)Br(PMePh2)2] |
Authors of publication | Wakioka, Masayuki; Nakajima, Yumiko; Ozawa, Fumiyuki |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 8 |
Pages of publication | 2527 |
a | 9.097 ± 0.003 Å |
b | 11.925 ± 0.004 Å |
c | 14.187 ± 0.005 Å |
α | 77.931 ± 0.012° |
β | 84.226 ± 0.013° |
γ | 80.528 ± 0.012° |
Cell volume | 1481 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1015 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Weighted residual factors for all reflections included in the refinement | 0.1121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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