Information card for entry 4326111

Structure parameters

• Common name: Tris{η^3^-μ-1,3-bis[(4-methoxy-3,5-dimethyl-2- pyridyl)methyl]imidazol-2-ylidene}tricopper(I) tetrafluoroborate dichloromethane trisolvate
• Chemical name: Triangulo-tris{η^3^-μ~2~-1,3-bis[(4-methoxy-4,5-dimethyl-2- pyridyl-κN)methyl]-2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate dichloromethane trisolvate
• Formula: C66 H84 B3 Cl6 Cu3 F12 N12 O6
• Calculated formula: C66 H82 B3 Cl6.01 Cu3 F12 N12 O6
• Title of publication: Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters
• Authors of publication: Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8465 - 8476
• a: 13.1899 ± 0.0007 Å
• b: 20.8644 ± 0.0011 Å
• c: 28.1272 ± 0.0016 Å
• α: 90°
• β: 100.51 ± 0.002°
• γ: 90°
• Cell volume: 7610.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No