Information card for entry 7040792

Structure parameters

• Formula: C65 H67 Au2 F3 N2 O5 P2 S
• Calculated formula: C65 H67 Au2 F3 N2 O5 P2 S
• SMILES: [Au]1([Au]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH]1=C1N(C(N(C1=O)c1c(cccc1C(C)C)C(C)C)O)c1c(cccc1C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
• Title of publication: Isolation and characterization of gem-diaurated species having two C-Au σ bonds in gold(i)-activated amidiniumation of alkynes.
• Authors of publication: Wang, Jiwei; Lv, Shichang; Chen, Haifeng; Shi, Min; Zhang, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17091 - 17094
• a: 13.7513 ± 0.001 Å
• b: 16.025 ± 0.002 Å
• c: 17.1415 ± 0.0012 Å
• α: 109.054 ± 0.001°
• β: 110.985 ± 0.001°
• γ: 96.809 ± 0.001°
• Cell volume: 3212.8 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No