Information card for entry 7027849

Structure parameters

• Formula: C24 H20 B Cl Cu F4 N6
• Calculated formula: C24 H20 B Cl Cu F4 N6
• Title of publication: Double-helical dinuclear copper(I) and mononuclear copper(II) complexes of a compartmental tetradentate bridging ligand: crystal structures and spectroscopic properties
• Authors of publication: Fleming, James S.; Mann, Karen L. V.; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 12
• Pages of publication: 2047
• a: 16.333 ± 0.002 Å
• b: 8.492 ± 0.002 Å
• c: 17.002 ± 0.002 Å
• α: 90°
• β: 90.423 ± 0.009°
• γ: 90°
• Cell volume: 2358.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.0889
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No