Information card for entry 4344691

Structure parameters

• Formula: C38 H40 Br2 N4 Pd
• Calculated formula: C38 H40 Br2 N4 Pd
• SMILES: Br[Pd](Br)(=C1N(C=CN1c1c(cc(cc1C)C)C)Cc1ccccc1)=C1N(C=CN1c1c(cc(cc1C)C)C)Cc1ccccc1
• Title of publication: Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.
• Authors of publication: Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1304 - 1314
• a: 15.694 ± 0.014 Å
• b: 18.447 ± 0.015 Å
• c: 39.27 ± 0.03 Å
• α: 90°
• β: 89.46 ± 0.07°
• γ: 90°
• Cell volume: 11368 ± 16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.2985
• Residual factor for significantly intense reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.3318
• Weighted residual factors for all reflections included in the refinement: 0.4288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No