Information card for entry 4344690

Structure parameters

• Formula: C36 H38 Ag Br N2 O2
• Calculated formula: C36 H38 Ag Br N2 O2
• SMILES: [Ag](Br)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
• 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: 8.607 ± 0.002 Å
• b: 29.518 ± 0.006 Å
• c: 15.321 ± 0.003 Å
• α: 90°
• β: 122.845 ± 0.013°
• γ: 90°
• Cell volume: 3270.2 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No