Information card for entry 7008149

Structure parameters

• Formula: C42 H42 As2 Cl2 Pd
• Calculated formula: C42 H42 As2 Cl2 Pd
• SMILES: c1(ccccc1[As]([Pd]([As](c1ccccc1C)(c1c(cccc1)C)c1ccccc1C)(Cl)Cl)(c1ccccc1C)c1ccccc1C)C
• Title of publication: Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.
• Authors of publication: Baber, R. Angharad; Collard, Simon; Hooper, Mark; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1491 - 1498
• a: 10.6786 ± 0.0018 Å
• b: 10.9964 ± 0.0019 Å
• c: 15.825 ± 0.003 Å
• α: 90°
• β: 93.093 ± 0.003°
• γ: 90°
• Cell volume: 1855.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No