Information card for entry 4326109

Structure parameters

• Common name: Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]imidazol-2- ylidene}tricopper(I) tetrafluoroborate 6.5 acetonitrile solvate
• Chemical name: Triangulo-tris{η^3^-μ~2~-1,3-bis[(3,4-dimethoxy-2-pyridyl-κN)methyl]- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate 6.5 acetonitrile solvate
• Formula: C70 H85.5 B3 Cu3 F12 N18.5 O12
• Calculated formula: C70 H81 B3 Cu3 F12 N18.5 O12
• 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: 11.7873 ± 0.0004 Å
• b: 16.9609 ± 0.0006 Å
• c: 22.4002 ± 0.0007 Å
• α: 98.585 ± 0.002°
• β: 104.722 ± 0.002°
• γ: 95.493 ± 0.002°
• Cell volume: 4240.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No