Information card for entry 2015846

Structure parameters

• Chemical name: bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate
• Formula: C7 H18 F3 O3 P3 S
• Calculated formula: C7 H18 F3 O3 P3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.P([P+](P(C)C)(C)C)(C)C
• Title of publication: A second polymorph of bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate
• Authors of publication: Weigand, Jan J.; Davidson, Reagan J.; Cameron, T. Stanley; Burford, Neil
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o193 - o195
• a: 23.5972 ± 0.0007 Å
• b: 10.7419 ± 0.0004 Å
• c: 12.0086 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3043.93 ± 0.18 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes