Information card for entry 7013469

Structure parameters

• Common name: bis(isonicotinamide)-bis(2-fluorobenzoate)(2-fluorobenzoic acid)copper(ii)
• Chemical name: bis(isonicotinamide)-bis(2-fluorobenzoate)(2-fluorobenzoic acid)copper(II)
• Formula: C33 H25 Cu F3 N4 O8
• Calculated formula: C33 H25 Cu F3 N4 O8
• Title of publication: Directed assembly of dinuclear and mononuclear copper(II)-carboxylates into infinite 1-D motifs using isonicotinamide as a high-yielding supramolecular reagent
• Authors of publication: Christer B. Aakeröy; Alicia M. Beatty; John Desper; Mick O'Shea; Jesús Valdés-Martínez
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3956 - 3962
• a: 11.0792 ± 0.0014 Å
• b: 19.771 ± 0.002 Å
• c: 15.528 ± 0.0019 Å
• α: 90°
• β: 104.284 ± 0.003°
• γ: 90°
• Cell volume: 3296.2 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No