Information card for entry 4317845

Structure parameters

• Formula: C28 H6 B Cu F20 N2
• Calculated formula: C28 H6 B Cu F20 N2
• SMILES: [B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(F)c(F)c(F)c1F)F)c1c(c(F)c(F)c(F)c1F)F.[N](#CC)[Cu][N]#CC
• Title of publication: A Bis-Acetonitrile Two-Coordinate Copper(I) Complex: Synthesis and Characterization of Highly Soluble B(C6F5)4- Salts of [Cu(MeCN)2]+ and [Cu(MeCN)4]+
• Authors of publication: Hong-Chang Liang; Eunsuk Kim; Christopher D. Incarvito; Arnold L. Rheingold; Kenneth D. Karlin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2209 - 2212
• a: 19.7183 ± 0.0016 Å
• b: 8.2444 ± 0.0007 Å
• c: 19.8057 ± 0.0016 Å
• α: 90°
• β: 118.262 ± 0.001°
• γ: 90°
• Cell volume: 2835.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No