Information card for entry 7027848

Structure parameters

• Formula: C24.5 H21 Cl Cu F6 N6 P
• Calculated formula: C24.5 H21 Cl Cu F6 N6 P
• 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: 16.3084 ± 0.0014 Å
• b: 16.308 ± 0.002 Å
• c: 19.627 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5219.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1576
• Weighted residual factors for significantly intense reflections: 0.1421
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No