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Information card for entry 4063265
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4063265.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H31 N3 Pd |
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Calculated formula | C23 H31 N3 Pd |
SMILES | c12c(ccc[n]1[Pd](=C1N2C=CN1c1c(cccc1C(C)C)C(C)C)(C)C)C |
Title of publication | Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes |
Authors of publication | Andreas A. Danopoulos; Nikolaos Tsoureas; Stuart A. Macgregor; Christopher Smith |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Pages of publication | 253 - 263 |
a | 10.408 ± 0.006 Å |
b | 12.139 ± 0.007 Å |
c | 17.357 ± 0.011 Å |
α | 90° |
β | 105.97 ± 0.04° |
γ | 90° |
Cell volume | 2108 ± 2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1204 |
Residual factor for significantly intense reflections | 0.1037 |
Weighted residual factors for significantly intense reflections | 0.2363 |
Weighted residual factors for all reflections included in the refinement | 0.2443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
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/4063265.html
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