Information card for entry 4064778

Structure parameters

• Formula: C32 H28 Au F3 N O3 P S
• Calculated formula: C32 H28 Au F3 N O3 P S
• SMILES: [Au]1(c2c(c3[n]1cccc3)ccc(c2)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of a Coordinatively Labile Gold(III) Methyl Complex
• Authors of publication: Venugopal, Ajay; Shaw, Anthony P.; Törnroos, Karl W.; Heyn, Richard H.; Tilset, Mats
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3250
• a: 9.0011 ± 0.0003 Å
• b: 9.712 ± 0.0003 Å
• c: 16.8412 ± 0.0005 Å
• α: 81.2501 ± 0.0004°
• β: 86.7247 ± 0.0004°
• γ: 83.6293 ± 0.0003°
• Cell volume: 1444.9 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0175
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No