Information card for entry 4348989

Structure parameters

• Formula: C42 H44 B2 Cl4 Cu2 F8 N12
• Calculated formula: C42 H44 B2 Cl4 Cu2 F8 N12
• SMILES: [B](F)(F)(F)[F-].c12[Cu]c3c(c4c([n+](nn4C)Cc4ccccc4)[Cu]c4c(c1[n+](cn2Cc1ccccc1)C)n(n[n+]4Cc1ccccc1)C)n(n[n+]3Cc1ccccc1)C.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis
• Authors of publication: Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 67
• a: 21.22 ± 0.004 Å
• b: 13.993 ± 0.003 Å
• c: 17.774 ± 0.003 Å
• α: 90°
• β: 111.151 ± 0.004°
• γ: 90°
• Cell volume: 4922.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No