Information card for entry 4330042

Structure parameters

• Formula: C28 H24 F6 O6 P2 S2 Se
• Calculated formula: C28 H24 F6 O6 P2 S2 Se
• SMILES: FC(F)(F)S(=O)(=O)[O-].c1cccc(c1)[P+]1([Se][P+](CC1)(c1ccccc1)c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Homoleptic Pnictogen-Chalcogen Coordination Complexes
• Authors of publication: Jonathan W. Dube; Mikko M. Hänninen; Jason L. Dutton; Heikki M. Tuononen; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8897 - 8903
• a: 15.014 ± 0.003 Å
• b: 9.896 ± 0.002 Å
• c: 21.02 ± 0.004 Å
• α: 90°
• β: 99.97 ± 0.03°
• γ: 90°
• Cell volume: 3076 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No