Information card for entry 4088515

Structure parameters

• Formula: C69.5 H57.5 Au Cl2.5 O3 P
• Calculated formula: C69.5 H57.5 Au Cl2.5 O3 P
• Title of publication: Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations
• Authors of publication: Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1265
• a: 11.9837 ± 0.0004 Å
• b: 13.0538 ± 0.0004 Å
• c: 19.8023 ± 0.0006 Å
• α: 90.812 ± 0.002°
• β: 97.791 ± 0.002°
• γ: 114.377 ± 0.003°
• Cell volume: 2787.07 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No