Information card for entry 4327175

Structure parameters

• Formula: C25 H18 F3 N2 O5 P S3
• Calculated formula: C25 H18 F3 N2 O5 P S3
• SMILES: P1=[N+](c2ccc(OC)cc2)c2c(N1c1ccc(OC)cc1)c1c(scc1)c1sccc21.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone
• Authors of publication: Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12810 - 12817
• a: 10.27 ± 0.002 Å
• b: 11.016 ± 0.002 Å
• c: 12.46 ± 0.003 Å
• α: 90°
• β: 112.43 ± 0.03°
• γ: 90°
• Cell volume: 1303 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No