Information card for entry 4303785

Structure parameters

• Common name: 7
• Formula: C28 H26 Au B0 Br2 Cu F0 N6
• Calculated formula: C28 H26 Au Br2 Cu N6
• SMILES: [Cu](Br)(Br)[n]1c(CN2C(=[Au]=C3N(C=CN3Cc3ccc4ccccc4n3)C)N(C=C2)C)ccc2ccccc12
• 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: 10.8582 ± 0.0001 Å
• b: 8.8845 ± 0.0001 Å
• c: 28.0213 ± 0.0004 Å
• α: 90°
• β: 94.056 ± 0.001°
• γ: 90°
• Cell volume: 2696.44 ± 0.06 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: 0.0444
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No