Information card for entry 7042654

Structure parameters

• Formula: C41 H49 Au2 Cl4 N2 P
• Calculated formula: C41 H49 Au2 Cl4 N2 P
• Title of publication: Engaging Dual Donor Sites within an N-Heterocyclic Olefin Phosphine Ligand
• Authors of publication: Lui, Melanie W.; Shynkaruk, Olena; Oakley, Meagan; Sinelnikov, Regina; McDonald, Robert; Ferguson, Michael J.; Meldrum, Al; Klobukowski, Mariusz; Rivard, Eric
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.6168 ± 0.0005 Å
• b: 13.3772 ± 0.0003 Å
• c: 19.0712 ± 0.0005 Å
• α: 90°
• β: 115.649 ± 0.0011°
• γ: 90°
• Cell volume: 4281.51 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No