Information card for entry 7052262

Structure parameters

• Formula: C30 H44 Cl2 N4 Pd
• Calculated formula: C30 H44 Cl2 N4 Pd
• SMILES: C1(N(c2ccccc2N1CCCC)CCCC)=[Pd](Cl)(=C1N(c2ccccc2N1CCCC)CCCC)Cl
• Title of publication: Heck reaction catalysed by palladium supported with an electron-rich benzimidazolylidene generated in situ: remarkable ligand electronic effects and controllable mono- and di-arylation
• Authors of publication: Zou, Gang; Huang, Wen; Xiao, Yuanjing; Tang, Jie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 803
• a: 14.075 ± 0.0013 Å
• b: 8.841 ± 0.0008 Å
• c: 14.3377 ± 0.0013 Å
• α: 90°
• β: 119.052 ± 0.001°
• γ: 90°
• Cell volume: 1559.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No