Information card for entry 4303781

Structure parameters

• Common name: 12
• Formula: C26 H31 Au B2 Cu F8 N9
• Calculated formula: C26 H31 Au B2 Cu F8 N9
• SMILES: [Au]1=C2N(C=CN2Cc2cccc[n]2[Cu]([n]2c(CN3C=1N(C=C3)C)cccc2)([N]#CC)[N]#CC)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(#N)C
• Title of publication: Luminescent Copper(I) Halide Butterfly Dimers Coordinated to [Au(CH3imCH2py)2]BF4 and [Au(CH3imCH2quin)2]BF4
• Authors of publication: Vincent J. Catalano; Adam L. Moore; Jason Shearer; Jineun Kim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11362 - 11375
• a: 15.3313 ± 0.0004 Å
• b: 21.5103 ± 0.0006 Å
• c: 10.357 ± 0.0003 Å
• α: 90°
• β: 106.027 ± 0.002°
• γ: 90°
• Cell volume: 3282.78 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No