Information card for entry 7152371

Structure parameters

• Formula: C8 H12 Cl4 Pd Sn
• Calculated formula: C8 H12 Cl4 Pd Sn
• SMILES: [CH]12CC[CH]3[Pd]41(Cl)([Sn](Cl)(Cl)Cl)[CH]=3CC[CH]=24
• Title of publication: First example of a heterobimetallic 'Pd-Sn' catalyst for direct activation of alcohol: efficient allylation, benzylation and propargylation of arenes, heteroarenes, active methylenes and allyl-Si nucleophiles.
• Authors of publication: Das, Debjit; Pratihar, Sanjay; Roy, Ujjal Kanti; Mal, Dipakranjan; Roy, Sujit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 4537 - 4542
• a: 9.3763 ± 0.0007 Å
• b: 11.1992 ± 0.0009 Å
• c: 13.5473 ± 0.0011 Å
• α: 90°
• β: 107.455 ± 0.002°
• γ: 90°
• Cell volume: 1357.06 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No