Information card for entry 4303784

Structure parameters

• Common name: 6
• Formula: C30 H26 Au B Cu2 F4 I2 N7
• Calculated formula: C30 H26 Au B Cu2 F4 I2 N7
• SMILES: [Au]123[Cu]4([I][Cu]1([I]4)[n]1c(CN4C=3N(C=C4)C)ccc3ccccc13)[n]1c(CN3C=2N(C=C3)C)ccc2ccccc12.CC#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: 10.513 ± 0.003 Å
• b: 25.914 ± 0.007 Å
• c: 13.379 ± 0.004 Å
• α: 90°
• β: 109.974 ± 0.016°
• γ: 90°
• Cell volume: 3425.6 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3063
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No