Information card for entry 7107648

Structure parameters

• Formula: C42 H36 Br2 Cu2 N4
• Calculated formula: C42 H36 Br2 Cu2 N4
• SMILES: c1(ccccc1)CN1C(N(c2c1cccc2)Cc1ccccc1)=[Cu]1[Br][Cu](=C2N(c3ccccc3N2Cc2ccccc2)Cc2ccccc2)[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: 9.4581 ± 0.0006 Å
• b: 9.5482 ± 0.0007 Å
• c: 11.2949 ± 0.001 Å
• α: 69.206 ± 0.007°
• β: 82.837 ± 0.006°
• γ: 69.262 ± 0.006°
• Cell volume: 891.79 ± 0.13 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No