Information card for entry 7016307

Structure parameters

• Formula: C17 H20 F3 N3 O3 Pd S
• Calculated formula: C17 H20 F3 N3 O3 Pd S
• SMILES: c12ccccc1N1[Pd]([N]2(C)C)(OS(=O)(=O)C(F)(F)F)[N](c2ccccc12)(C)C
• Title of publication: Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.
• Authors of publication: Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8906 - 8911
• a: 7.0359 ± 0.0004 Å
• b: 14.701 ± 0.0008 Å
• c: 19.4779 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2014.69 ± 0.18 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No