Information card for entry 4065951

Structure parameters

• Formula: C23 H29 F6 N2 P
• Calculated formula: C23 H29 F6 N2 P
• SMILES: C1=[N+]([C@]2(C([C@H](CC2)N1Cc1ccccc1)(C)C)C)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.0984 ± 0.0002 Å
• b: 14.5283 ± 0.0002 Å
• c: 14.7057 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2371.16 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No