Information card for entry 4326761

Structure parameters

• Common name: [Au(im(CH~2~py)~2~)~2~(CuBr)~2~]PF~6~
• Chemical name: Bis[μ~2~-η^3^-1,3-bis[(2-pyridyl-1κN)methyl]-2H-imidazol-2- ylidene-1,2κ^2^C}di(bromo-1κ)dicopper(I)gold(I) 2(Au‒Cu) hexafluorophosphate
• Formula: C30 H28 Au Br2 Cu2 F6 N8 P
• Calculated formula: C30 H28 Au Br2 Cu2 F6 N8 P
• SMILES: C123N4C=CN1Cc1cccc[n]1[Cu]3([Au]12C23N5C=CN2Cc2cccc[n]2[Cu]13(Br)[n]1c(C5)cccc1)(Br)[n]1c(C4)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting Short Au(I)...Cu(I) Separations and Unusual Semibridging NHC Ligands
• Authors of publication: Christoph E. Strasser; Vincent J. Catalano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11228 - 11234
• a: 22.6371 ± 0.0009 Å
• b: 11.7125 ± 0.0004 Å
• c: 13.7305 ± 0.0005 Å
• α: 90°
• β: 114.51 ± 0.002°
• γ: 90°
• Cell volume: 3312.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0668
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No