Information card for entry 4320084

Structure parameters

• Chemical name: bis(4,4'-dimethyl-2,2'-bipyridine)copper(I) bromide
• Formula: C24 H24 Br Cu N4
• Calculated formula: C24 H24 Br Cu N4
• SMILES: [Cu]12([n]3c(cc(cc3)C)c3[n]1ccc(c3)C)[n]1c(cc(cc1)C)c1[n]2ccc(c1)C.[Br-]
• Title of publication: Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System
• Authors of publication: Roger D. Willett; George Pon; Callie Nagy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4342 - 4352
• a: 7.6706 ± 0.0016 Å
• b: 11.478 ± 0.003 Å
• c: 13.808 ± 0.003 Å
• α: 95.012 ± 0.015°
• β: 100.92 ± 0.02°
• γ: 109.094 ± 0.016°
• Cell volume: 1113.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No