Information card for entry 4303783

Structure parameters

• Common name: 5
• Formula: C35 H31 Au B Br2 Cu2 F4 N7
• Calculated formula: C35 H31 Au B Br2 Cu2 F4 N7
• SMILES: [Au]123[Cu]4([Br][Cu]1([Br]4)[n]1c(CN4C=3N(C=C4)C)ccc3ccccc13)[n]1c(CN3C=2N(C=C3)C)ccc2ccccc12.c1ccccc1C#N.[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: 10.4526 ± 0.0007 Å
• b: 11.8432 ± 0.0009 Å
• c: 15.7913 ± 0.0011 Å
• α: 102.572 ± 0.005°
• β: 102.612 ± 0.005°
• γ: 101.806 ± 0.005°
• Cell volume: 1795.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No