Information card for entry 7010691

Structure parameters

• Formula: C24 H33 B Cu F4 N5 S2
• Calculated formula: C24 H33 B Cu F4 N5 S2
• SMILES: [Cu]1([n]2c(SCc3c(c(c(cc3CC)CC)CSc3n(cc[n]13)C)CC)n(cc2)C)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, characterization and reactivity of copper(I) imidazole complexes based on a cavitand ligand design†
• Authors of publication: Voo, Janis K.; Lam, K. C.; Rheingold, Arnold L.; Riordan, Charles G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1803
• a: 18.6841 ± 0.0002 Å
• b: 8.2017 ± 0.0002 Å
• c: 19.1047 ± 0.0002 Å
• α: 90°
• β: 100.873 ± 0.0003°
• γ: 90°
• Cell volume: 2875.07 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.458
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No