Information card for entry 7043130

Structure parameters

• Formula: C20 H15 As F9 N4 O9 P S3
• Calculated formula: C20 H15 As F9 N4 O9 P S3
• SMILES: c12cccc[n]1[As]1[n]3c(P2c2[n]1cccc2)cccc3.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[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: 12.0563 ± 0.0006 Å
• b: 12.0768 ± 0.0006 Å
• c: 12.0815 ± 0.0006 Å
• α: 87.195 ± 0.001°
• β: 62.134 ± 0.001°
• γ: 73.963 ± 0.001°
• Cell volume: 1487.92 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0323
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• 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: No
• Has Fobs: No