Information card for entry 7042656

Structure parameters

• Formula: C43 H54 Au I N2 P
• Calculated formula: C43 H54 Au I 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: 10.3405 ± 0.0004 Å
• b: 18.0429 ± 0.0007 Å
• c: 21.9333 ± 0.0008 Å
• α: 90°
• β: 97.4577 ± 0.0019°
• γ: 90°
• Cell volume: 4057.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No