Information card for entry 4073515

Structure parameters

• Formula: C22 H35 F3 N2 O3 P2 Pd S
• Calculated formula: C22 H35 F3 N2 O3 P2 Pd S
• SMILES: [Pd]12(OS(=O)(=O)C(F)(F)F)[P](n3cccc3C2c2n([P]1(C(C)C)C(C)C)ccc2)(C(C)C)C(C)C
• Title of publication: Palladium Complexes of a P2C Ligand Containing a Central Carbene Moiety
• Authors of publication: Weng, Wei; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3315
• a: 18.34 ± 0.002 Å
• b: 15.2377 ± 0.0018 Å
• c: 20.012 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5592.5 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No