Information card for entry 7023623

Structure parameters

• Common name: [Pd(PSMePy)(PPh3)](OTf)2
• Formula: C35 H28 F6 N5 O6 P Pd S4
• Calculated formula: C35 H28 F6 N5 O6 P Pd S4
• Title of publication: Fluxional interconversion of divalent palladium complexes having NSNSN ligands between flexible SNS and rigid NNN-coordinated structures.
• Authors of publication: Kawada, Yumi; Kataoka, Yasutaka; Ura, Yasuyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14844 - 14855
• a: 17.791 ± 0.0013 Å
• b: 12.9731 ± 0.0006 Å
• c: 18.4171 ± 0.0011 Å
• α: 90°
• β: 110.727 ± 0.002°
• γ: 90°
• Cell volume: 3975.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No