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Information card for entry 4086378
Preview
Coordinates | 4086378.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H44 O P2 Pd S Si |
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Calculated formula | C38 H44 O P2 Pd S Si |
SMILES | [Pd]12([S]=P(C1[Si](C2)(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC |
Title of publication | Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity |
Authors of publication | Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 159 |
a | 10.6786 ± 0.0005 Å |
b | 11.8158 ± 0.0005 Å |
c | 14.7036 ± 0.0007 Å |
α | 81.058 ± 0.002° |
β | 81.789 ± 0.002° |
γ | 78.133 ± 0.002° |
Cell volume | 1781.7 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4086378.html
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