Information card for entry 4077083

Structure parameters

• Chemical name: chloro-methyl-(1-trifluoromethylsulfonyl-2-(2-pyridyl)-4,5-diphenyl- -imidazoline,N,N')-palladium(II)
• Formula: C22 H19 Cl F3 N3 O2 Pd S
• Calculated formula: C22 H19 Cl F3 N3 O2 Pd S
• SMILES: [Pd]1([N]2=C(c3[n]1cccc3)N(S(=O)(=O)C(F)(F)F)[C@@H]([C@@H]2c1ccccc1)c1ccccc1)(Cl)C.[Pd]1([N]2=C(c3[n]1cccc3)N(S(=O)(=O)C(F)(F)F)[C@H]([C@H]2c1ccccc1)c1ccccc1)(Cl)C
• Title of publication: Influence of Pyridine-Imidazoline Ligands on the Reactivity of Palladium-Methyl Complexes with Carbon Monoxide
• Authors of publication: Bastero, Amaia; Ruiz, Aurora; Claver, Carmen; Milani, Barbara; Zangrando, Ennio
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5820
• a: 10.698 ± 0.003 Å
• b: 10.368 ± 0.004 Å
• c: 21.206 ± 0.005 Å
• α: 90°
• β: 99.84 ± 0.02°
• γ: 90°
• Cell volume: 2317.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No