Information card for entry 7107647

Structure parameters

• Formula: C38 H40 Cu F6 N4 P
• Calculated formula: C38 H40 Cu F6 N4 P
• SMILES: [Cu](=C1N(C=CN1c1c(cccc1C)C)c1c(cccc1C)C)=C1N(c2c(C)cccc2C)C=CN1c1c(cccc1C)C.[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: 14.0778 ± 0.0004 Å
• b: 15.5817 ± 0.0005 Å
• c: 17.3053 ± 0.0004 Å
• α: 90°
• β: 102.422 ± 0.001°
• γ: 90°
• Cell volume: 3707.16 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No