Information card for entry 4065952

Structure parameters

• Formula: C21 H27 F6 N4 P
• Calculated formula: C21 H27 F6 N4 P
• Title of publication: Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring
• Authors of publication: Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2724
• a: 10.573 ± 0.0001 Å
• b: 11.853 ± 0.0002 Å
• c: 18.613 ± 0.0003 Å
• α: 90°
• β: 100.724 ± 0.001°
• γ: 90°
• Cell volume: 2291.87 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No