Information card for entry 4079364

Structure parameters

• Common name: in manuscript 6a
• Formula: C17 H33 Cl2 Cu F6 N2 P2
• Calculated formula: C17 H33 Cl2 Cu F6 N2 P2
• Title of publication: Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)
• Authors of publication: Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 8000
• a: 24.7326 ± 0.0001 Å
• b: 11.3777 ± 0.0002 Å
• c: 20.7465 ± 0.0004 Å
• α: 90°
• β: 112.914 ± 0.001°
• γ: 90°
• Cell volume: 5377.39 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2733
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No