Information card for entry 7023622

Structure parameters

• Common name: [PdCl(PySMePy)](OTf)
• Formula: C18 H15 Cl F3 N3 O3 Pd S3
• Calculated formula: C18 H15 Cl F3 N3 O3 Pd S3
• 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: 8.755 ± 0.003 Å
• b: 10.203 ± 0.003 Å
• c: 13.952 ± 0.004 Å
• α: 65.946 ± 0.017°
• β: 74.499 ± 0.018°
• γ: 78.61 ± 0.02°
• Cell volume: 1091.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No