Information card for entry 7020289

Structure parameters

• Formula: C58 H76 Cl4 N6 Pd2
• Calculated formula: C58 H76 Cl4 N6 Pd2
• SMILES: C1(N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)=[Pd]([n]1cc[n](cc1)[Pd](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl)(Cl)Cl
• Title of publication: Synthesis and characterization of dinuclear NHC-palladium complexes and their applications in the Hiyama reactions of aryltrialkyoxysilanes with aryl chlorides.
• Authors of publication: Yang, Jin; Wang, Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12031 - 12037
• a: 11.785 ± 0.005 Å
• b: 19.42 ± 0.008 Å
• c: 14.692 ± 0.006 Å
• α: 90°
• β: 107.196 ± 0.004°
• γ: 90°
• Cell volume: 3212 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1398
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No