Information card for entry 7043131

Structure parameters

• Common name: Trispyridylphosphine antimony tris triflate
• Chemical name: Trispyridylphosphine antimony tris triflate
• Formula: C19 H13.5 F9 N3.5 O9 P S3 Sb
• Calculated formula: C19 H13.5 F9 N3.5 O9 P S3 Sb
• SMILES: [Sb]12(OS(=O)(=O)C(F)(F)F)([n]3ccccc3P(c3[n]2cccc3)c2[n]1cccc2)(OS(=O)(=O)C(F)(F)F)OS(=O)(C(F)(F)F)=O.N#CC
• Title of publication: Tris(2-pyridyl)phosphine as a versatile ligand for pnictogen acceptors
• Authors of publication: Suter, Riccardo; Sinclair, Hannah; Burford, Neil; McDonald, Robert; Ferguson, Michael J.; Schrader, Erik
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.6061 ± 0.0002 Å
• b: 12.18356 ± 0.0001 Å
• c: 21.5114 ± 0.0002 Å
• α: 90°
• β: 91.2212 ± 0.0009°
• γ: 90°
• Cell volume: 5661.36 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No