Information card for entry 4303787

Structure parameters

• Common name: 10
• Formula: C20 H22 Au B Br2 Cu2 F4 N6
• Calculated formula: C20 H22 Au B Br2 Cu2 F4 N6
• SMILES: [Au]123[Cu]4([Br][Cu]1([Br]4)[n]1c(CN4C=3N(C=C4)C)cccc1)[n]1c(CN3C=2N(C=C3)C)cccc1.[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: 9.9074 ± 0.0002 Å
• b: 10.2809 ± 0.0002 Å
• c: 13.1628 ± 0.0002 Å
• α: 98.433 ± 0.001°
• β: 102.075 ± 0.001°
• γ: 97.599 ± 0.001°
• Cell volume: 1278.36 ± 0.04 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: 0.0465
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No