Information card for entry 4086392

Structure parameters

• Formula: C60 H80 B2 Cu2 F4 N4 O2
• Calculated formula: C60 H80 B2 Cu2 F4 N4 O2
• Title of publication: Bonding and Reactivity of a Dicopper(I) μ-Boryl Cation
• Authors of publication: Wyss, Chelsea M.; Bitting, Jamie; Bacsa, John; Gray, Thomas G.; Sadighi, Joseph P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 71
• a: 17.2532 ± 0.0016 Å
• b: 22.504 ± 0.002 Å
• c: 18.5412 ± 0.0019 Å
• α: 90°
• β: 105.979 ± 0.002°
• γ: 90°
• Cell volume: 6920.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1273
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No