Information card for entry 7107650

Structure parameters

• Formula: C22 H24 Br2 Cu2 N4
• Calculated formula: C22 H24 Br2 Cu2 N4
• SMILES: c1ccccc1CN1C(N(C=C1)C)=[Cu]1[Br][Cu](=C2N(C=CN2Cc2ccccc2)C)[Br]1
• 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: 9.8647 ± 0.0009 Å
• b: 7.3597 ± 0.0007 Å
• c: 16.2732 ± 0.0016 Å
• α: 90°
• β: 95.924 ± 0.004°
• γ: 90°
• Cell volume: 1175.15 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2323
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No