Information card for entry 7029787

Structure parameters

• Formula: C82 H100 Cl4 N4 P2 Pd2
• Calculated formula: C82 H100 Cl4 N4 P2 Pd2
• SMILES: [Pd](Cl)(Cl)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)CCCC[P]([Pd](Cl)(Cl)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.
• Authors of publication: Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7166 - 7175
• a: 29.94 ± 0.003 Å
• b: 13.7039 ± 0.0014 Å
• c: 21.536 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8836.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No