Information card for entry 4327179

Structure parameters

• Formula: C61 H48 As F3 N2 O5 P2 Pt S3
• Calculated formula: C61 H48 As F3 N2 O5 P2 Pt S3
• SMILES: [As]1(N(c2ccc(OC)cc2)c2c(c3ccsc3c3sccc23)N1c1ccc(OC)cc1)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.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: 11.5899 ± 0.0008 Å
• b: 13.2732 ± 0.001 Å
• c: 17.7278 ± 0.0013 Å
• α: 85.961 ± 0.002°
• β: 83.564 ± 0.002°
• γ: 84.914 ± 0.002°
• Cell volume: 2694.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No