Information card for entry 7027850

Structure parameters

• Formula: C49 H44 B2 Cu2 F14 N12 O Si
• Calculated formula: C49 H43 B2 Cu2 F14 N12 O Si
• 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: 10.1351 ± 0.0015 Å
• b: 18.355 ± 0.004 Å
• c: 27.362 ± 0.005 Å
• α: 90°
• β: 99.284 ± 0.014°
• γ: 90°
• Cell volume: 5023.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1357
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No