Information card for entry 4083070

Structure parameters

• Common name: 1e
• Formula: C14 H18 Cl N3 Pd
• Calculated formula: C14 H18 Cl N3 Pd
• SMILES: [Pd]1([n]2c(cccc2N(c2cccc([n]12)C)C)C)(Cl)C
• Title of publication: Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory
• Authors of publication: Swarts, Andrew J.; Zheng, Feng; Smith, Vincent J.; Nordlander, Ebbe; Mapolie, Selwyn F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2247
• a: 13.786 ± 0.0007 Å
• b: 9.6587 ± 0.0005 Å
• c: 22.2882 ± 0.0013 Å
• α: 90°
• β: 104.524 ± 0.001°
• γ: 90°
• Cell volume: 2872.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No