Information card for entry 4330043

Structure parameters

• Formula: C28.66 H24 F6 N0.33 O6 P2 S2 Te
• Calculated formula: C28.6667 H24 F6 N0.333333 O6 P2 S2 Te
• SMILES: [Te]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1).[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.CC#N
• 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: 24.418 ± 0.004 Å
• b: 24.418 ± 0.004 Å
• c: 13.727 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7088 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No