Information card for entry 7110162

Structure parameters

• Formula: C20 H39 F3 N2 O3 P2 S
• Calculated formula: C20 H39 F3 N2 O3 P2 S
• Title of publication: A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals
• Authors of publication: Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 50
• Pages of publication: 103
• a: 11.9434 ± 0.0018 Å
• b: 11.9397 ± 0.0018 Å
• c: 20.73 ± 0.003 Å
• α: 90°
• β: 93.356 ± 0.003°
• γ: 90°
• Cell volume: 2951 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1344
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No