Information card for entry 7020229

Structure parameters

• Formula: C17 H30 F3 N2 O2 P Pd S
• Calculated formula: C17 H30 F3 N2 O2 P Pd S
• SMILES: [Pd]1([P](Cc2[n]1c(C)ccc2)(C(C)(C)C)C(C)(C)C)(NS(=O)(=O)C(F)(F)F)C
• Title of publication: N-H bond activation by palladium(II) and copper(I) complexes featuring a reactive bidentate PN-ligand.
• Authors of publication: de Boer, Sandra Y.; Gloaguen, Yann; Reek, Joost N. H.; Lutz, Martin; van der Vlugt, Jarl Ivar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11276 - 11283
• a: 9.8419 ± 0.0003 Å
• b: 10.8652 ± 0.0003 Å
• c: 11.6779 ± 0.0004 Å
• α: 109.987 ± 0.0015°
• β: 99.6665 ± 0.0015°
• γ: 101.887 ± 0.0015°
• Cell volume: 1109.16 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No