Information card for entry 4327178

Structure parameters

• Formula: C62 H49 Cl3 F3 N2 O5 P3 Pt S3
• Calculated formula: C62 H49 Cl3 F3 N2 O5 P3 Pt S3
• SMILES: s1ccc2c1c1sccc1c1N(P(N(c3ccc(OC)cc3)c21)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl
• 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: 19.897 ± 0.004 Å
• b: 11.949 ± 0.002 Å
• c: 25.874 ± 0.005 Å
• α: 90°
• β: 98.91 ± 0.03°
• γ: 90°
• Cell volume: 6077 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No