Information card for entry 4339763

Structure parameters

• Formula: C10 H16 F3 N2 O3 P S2
• Calculated formula: C10 H16 F3 N2 O3 P S2
• SMILES: P(=S)(C)(C)[n+]1ccc(cc1)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Coordination complexes of the dimethyl-thio-phosphonium cation and ligand exchange.
• Authors of publication: Weigand, Jan J.; Burford, Neil; Mahnke, Devin; Decken, Andreas
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7689 - 7691
• a: 9.297 ± 0.003 Å
• b: 11.347 ± 0.004 Å
• c: 15.335 ± 0.005 Å
• α: 98.446 ± 0.005°
• β: 97.67 ± 0.005°
• γ: 91.537 ± 0.005°
• Cell volume: 1584.1 ± 0.9 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No