Information card for entry 1573345

Structure parameters

• Chemical name: Bis(di-<i>tert</i>-butylisopropylphosphine sulfide-κ<i>S</i>)gold(I) triiodide bis(iodine)
• Formula: C22 H50 Au I7 P2 S2
• Calculated formula: C22 H50 Au I7 P2 S2
• SMILES: C(P(C(C)(C)C)(C(C)C)=[S][Au][S]=P(C(C)(C)C)(C(C)(C)C)C(C)C)(C)(C)C.[I-](I)I.II.II
• a: 15.0435 ± 0.0003 Å
• b: 15.2629 ± 0.0003 Å
• c: 17.7574 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4077.23 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No