Information card for entry 4079366

Structure parameters

• Common name: in manuscript 10a
• Formula: C32 H52 Cl4 Cu2 F12 N8 P2
• Calculated formula: C32 H52 Cl4 Cu2 F12 N8 P2
• SMILES: [Cu]12[Cu](=C3N(CN4C=1N(C=C4)C(C)(C)C)C=CN3C(C)(C)C)=C1N(CN3C=2N(C=C3)C(C)(C)C)C=CN1C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 11.6179 ± 0.0007 Å
• b: 12.9619 ± 0.0008 Å
• c: 16.0697 ± 0.001 Å
• α: 80.063 ± 0.001°
• β: 84.338 ± 0.001°
• γ: 73.271 ± 0.001°
• Cell volume: 2279.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No