Information card for entry 4087821

Structure parameters

• Common name: carbenoid copper complex
• Formula: C35 H52 Cl Cu N2
• Calculated formula: C35 H52 Cl Cu N2
• Title of publication: Development of N-Heterocyclic Carbene‒Copper Complexes for 1,3-Halogen Migration
• Authors of publication: Schmid, Steven C.; Van Hoveln, Ryan; Rigoli, Jared W.; Schomaker, Jennifer M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4164
• a: 23.4669 ± 0.0005 Å
• b: 15.9665 ± 0.0003 Å
• c: 36.3909 ± 0.0008 Å
• α: 90°
• β: 98.216 ± 0.001°
• γ: 90°
• Cell volume: 13495.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No