Information card for entry 4340378

Structure parameters

• Formula: C16 H18 As F3 N O3 P S
• Calculated formula: C16 H18 As F3 N O3 P S
• SMILES: [As]1(c2c(Nc3c1cccc3)cccc2)[P+](C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.
• Authors of publication: Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9453 - 9460
• a: 12.4041 ± 0.0011 Å
• b: 14.4224 ± 0.0013 Å
• c: 21.608 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3865.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No