Information card for entry 7154940

Structure parameters

• Formula: C36 H43 Cl2 N3 Pd
• Calculated formula: C36 H43 Cl2 N3 Pd
• SMILES: [Pd](Cl)(Cl)([n]1cc2ccccc2cc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of N-heterocyclic carbene-PdCl2-(iso)quinoline complexes and their application in arylamination at low catalyst loadings.
• Authors of publication: Liu, Feng; Zhu, Yi-Ran; Song, Lu-Gan; Lu, Jian-Mei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2563 - 2571
• a: 10.698 ± 0.0016 Å
• b: 12.2896 ± 0.0019 Å
• c: 12.851 ± 0.002 Å
• α: 86.525 ± 0.003°
• β: 83.202 ± 0.003°
• γ: 87.556 ± 0.003°
• Cell volume: 1673.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No