Information card for entry 4303782

Structure parameters

• Common name: 4
• Formula: C28 H26 Au B Cl2 Cu2 F4 N6
• Calculated formula: C28 H26 Au B Cl2 Cu2 F4 N6
• SMILES: [Au]123[Cu]4([Cl][Cu]1([Cl]4)[n]1c(CN4=C3N(C=C4)C)ccc3ccccc13)[n]1c(CN3C=2N(C=C3)C)ccc2ccccc12.[B](F)(F)(F)[F-]
• 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: 9.8762 ± 0.0011 Å
• b: 32.362 ± 0.005 Å
• c: 9.4702 ± 0.0012 Å
• α: 90°
• β: 103.339 ± 0.007°
• γ: 90°
• Cell volume: 2945.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.208
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No