Information card for entry 7107649

Structure parameters

• Formula: C42 H36 Cu F6 N4 P
• Calculated formula: C42 H36 Cu F6 N4 P
• SMILES: c12ccccc2N(C(N1Cc1ccccc1)=[Cu]=C1N(c2c(cccc2)N1Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure
• Authors of publication: Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4887
• a: 8.0929 ± 0.001 Å
• b: 10.7824 ± 0.0015 Å
• c: 11.7655 ± 0.0016 Å
• α: 69.473 ± 0.005°
• β: 86.792 ± 0.004°
• γ: 69.242 ± 0.004°
• Cell volume: 896.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No