Information card for entry 2222754

Structure parameters

• Common name: Bis(μ-dppe)digold(I) triflate bis(acetonitrile) solvate
• Chemical name: Bis[μ-1,2-bis(diphenylphosphino)ethane- κ^2^<i>P</i>:<i>P</i>']digold(I)(<i>Au</i>—<i>Au</i>) bis(trifluoromethanesulfonate) acetonitrile disolvate
• Formula: C58 H54 Au2 F6 N2 O6 P4 S2
• Calculated formula: C58 H54 Au2 F6 N2 O6 P4 S2
• SMILES: [Au]12[P](CC[P]([Au]1[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)(C(F)(F)F)[O-].N#CC.S(=O)(=O)(C(F)(F)F)[O-].N#CC
• Title of publication: Bis[μ-1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']digold(I)(<i>Au</i>—<i>Au</i>) bis(trifluoromethanesulfonate) acetonitrile disolvate
• Authors of publication: Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m914
• a: 11.7888 ± 0.0009 Å
• b: 36.998 ± 0.003 Å
• c: 14.377 ± 0.001 Å
• α: 90°
• β: 113.011 ± 0.001°
• γ: 90°
• Cell volume: 5771.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes