Information card for entry 4323642

Structure parameters

• Formula: C82 H68 Au3 Cl4 F6 N O6 P4 S2
• Calculated formula: C82 H68 Au3 Cl4 F6 N O6 P4 S2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[C]([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1[n]([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Restricted Rotation around the P-C Bond in Metalated Phosphonium Salts: A Variable-Temperature 1H NMR Study. X-ray Crystal Structures of [{AuP(C6H11)3}2{μ-C(PTo3)(py-2)}]ClO4 and [(AuPPh3)2{μ-{C(PPh3)(py-2)}(AuPPh3)}](CF3SO3)2
• Authors of publication: José Vicente; María-Teresa Chicote; María-Cristina Lagunas; Peter G. Jones; Birte Ahrens
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4938 - 4944
• a: 17.232 ± 0.006 Å
• b: 25.8 ± 0.007 Å
• c: 18.005 ± 0.007 Å
• α: 90°
• β: 96.77 ± 0.03°
• γ: 90°
• Cell volume: 7949 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1584
• Weighted residual factors for significantly intense reflections: 0.1138
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No