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Information card for entry 4064991
Preview
Coordinates | 4064991.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H37 N3 O3 Pd S |
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Calculated formula | C29 H37 N3 O3 Pd S |
SMILES | C[Pd]1(=C2N(c3c(cccc3)S(=O)(=O)O1)CCN2c1c(cccc1C(C)C)C(C)C)[n]1c(cccc1C)C |
Title of publication | Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand |
Authors of publication | Zhou, Xiaoyuan; Jordan, Richard F. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4632 |
a | 11.455 ± 0.006 Å |
b | 11.537 ± 0.006 Å |
c | 14.792 ± 0.008 Å |
α | 78.733 ± 0.009° |
β | 76.496 ± 0.009° |
γ | 62.82 ± 0.008° |
Cell volume | 1682 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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