Information card for entry 7008148

Structure parameters

• Formula: C36 H35 Cl O P2 Pd
• Calculated formula: C36 H35 Cl O P2 Pd
• SMILES: c12c3cccc2C[P]([Pd]1([P](C3)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: A catalytic and mechanistic investigation of a PCP pincer palladium complex in the Stille reaction.
• Authors of publication: Olsson, Daniel; Nilsson, Patrik; El Masnaouy, Mostafa; Wendt, Ola F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 1924 - 1929
• a: 15.016 ± 0.002 Å
• b: 15.016 ± 0.002 Å
• c: 14.129 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3185.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No