Information card for entry 4326112

Structure parameters

• Common name: Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]-4,5- dihydroimidazol-2-ylidene}tricopper(I) tetrafluoroborate ethanenitrile trisolvate
• Chemical name: Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]-4,5-didydro- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate ethanenitrile trisolvate
• Formula: C51 H57 B3 Cu3 F12 N15
• Calculated formula: C50.9998 H56.9991 B3 Cu3 F12 N14.9999
• 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: 12.9314 ± 0.0002 Å
• b: 12.9314 ± 0.0002 Å
• c: 31.063 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4498.47 ± 0.13 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No