Information card for entry 4079259

Structure parameters

• Formula: C42 H60 B Cu F4 N4
• Calculated formula: C42 H60 B Cu F4 N4
• SMILES: [B](F)(F)(F)[F-].C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Cu]=C1N(C2CCCCC2)C=CN1C1CCCCC1
• Title of publication: Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes
• Authors of publication: Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 7969
• a: 20.475 ± 0.005 Å
• b: 15.838 ± 0.004 Å
• c: 13.143 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4262.1 ± 1.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No