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Information card for entry 4071896
Preview
Coordinates | 4071896.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H23 Cl Pd |
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Calculated formula | C13 H23 Cl Pd |
SMILES | [Pd]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)CC(C)(C)C |
Title of publication | Alkylpalladium N-Heterocyclic Carbene Complexes: Synthesis, Reactivity, and Catalytic Properties |
Authors of publication | Esposito, Oriana; Gois, Pedro M. P.; de K. Lewis, Alexandra K.; Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 24 |
Pages of publication | 6411 |
a | 6.4359 ± 0.0005 Å |
b | 12.0616 ± 0.001 Å |
c | 17.4155 ± 0.0014 Å |
α | 90° |
β | 96.456 ± 0.004° |
γ | 90° |
Cell volume | 1343.34 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0821 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071896.html
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