Information card for entry 4326762

Structure parameters

• Formula: C30 H28 Au Cu2 F6 I2 N8 P
• Calculated formula: C30 H28 Au Cu2 F6 I2 N8 P
• SMILES: C123N4C=CN1Cc1cccc[n]1[Cu]3(I)([Au]12C23N5C=CN2Cc2cccc[n]2[Cu]13(I)[n]1c(C5)cccc1)[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: 22.8467 ± 0.0011 Å
• b: 11.8198 ± 0.0005 Å
• c: 13.8637 ± 0.0006 Å
• α: 90°
• β: 114.175 ± 0.001°
• γ: 90°
• Cell volume: 3415.5 ± 0.3 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: 0.062
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No