Information card for entry 7022799

Structure parameters

• Formula: C46 H54 Au2 F6 N4 O6 P2 S2
• Calculated formula: C46 H54 Au2 F6 N4 O6 P2 S2
• SMILES: C(F)(F)(F)S(=O)(=O)N1C(=O)CCCCN2[C@H](C[P](c3ccccc3)(c3ccccc3)[Au]N(C(=O)CCCCN3[C@H](C[P](c4ccccc4)(c4ccccc4)[Au]1)CCC3)S(=O)(=O)C(F)(F)F)CCC2
• Title of publication: Insights into the mechanism for gold catalysis: behaviour of gold(I) amide complexes in solution.
• Authors of publication: Bobin, Mariusz; Day, Iain J.; Roe, Stephen M.; Viseux, Eddy M. E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6592 - 6602
• a: 10.4641 ± 0.0002 Å
• b: 17.3566 ± 0.0005 Å
• c: 14.2244 ± 0.0004 Å
• α: 90°
• β: 90.861 ± 0.001°
• γ: 90°
• Cell volume: 2583.16 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No