Information card for entry 1566932

Structure parameters

• Common name: [Cu(COD)2]BArF24
• Chemical name: [Cu(COD)2]BArF24
• Formula: C48 H36 B Cu F24
• Calculated formula: C48 H36 B Cu F24.009
• Title of publication: One-electron bonds in copper-aluminum and copper-gallium complexes.
• Authors of publication: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6525 - 6531
• a: 18.0783 ± 0.0008 Å
• b: 19.0664 ± 0.0008 Å
• c: 27.2154 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9380.8 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No