Information card for entry 4105375

Structure parameters

• Formula: C9 H21 As2 F6 O6 P S2
• Calculated formula: C9 H21 As2 F6 O6 P S2
• SMILES: [As+](P([As+](C)(C)C)C)(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Phosphinopnictonium Cations: High Yield and General Preparative Procedures for New Interpnictogen Frameworks Exploiting As→P and Sb→P Coordinate Bonds
• Authors of publication: Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17000 - 17008
• a: 13.4659 ± 0.0012 Å
• b: 11.5349 ± 0.0011 Å
• c: 14.053 ± 0.0013 Å
• α: 90°
• β: 109.123 ± 0.001°
• γ: 90°
• Cell volume: 2062.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No