Information card for entry 7042655

Structure parameters

• Formula: C43.5 H51 Cl Cu N2 P
• Calculated formula: C43.5 H51 Cl Cu 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: 9.82456 ± 0.00015 Å
• b: 20.1043 ± 0.0003 Å
• c: 20.4797 ± 0.0003 Å
• α: 90°
• β: 99.4697 ± 0.0007°
• γ: 90°
• Cell volume: 3989.94 ± 0.1 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: 0.0351
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No