Information card for entry 7029786

Structure parameters

• Formula: C70 H76 Cl4 N4 P2 Pd2
• Calculated formula: C70 H76 Cl4 N4 P2 Pd2
• SMILES: C1(N(C=CN1c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)=[Pd]([P](c1ccccc1)(c1ccccc1)CCCC[P](c1ccccc1)(c1ccccc1)[Pd](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)Cl)(Cl)Cl
• 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: 10.996 ± 0.008 Å
• b: 20.067 ± 0.015 Å
• c: 15.377 ± 0.011 Å
• α: 90°
• β: 104.08 ± 0.012°
• γ: 90°
• Cell volume: 3291 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No