Information card for entry 7013466

Structure parameters

• Common name: copper(ii)bis(isonicotinamide)bis(2-fluorobenzoate)
• Chemical name: copper(II)bis(isonicotinamide)bis(2-fluorobenzoate)
• Formula: C26 H24 Cu F2 N4 O8
• Calculated formula: C26 H24 Cu F2 N4 O8
• SMILES: c1[n](ccc(c1)C(=O)N)[Cu](OC(=O)c1c(F)cccc1)([n]1ccc(cc1)C(=O)N)OC(=O)c1c(cccc1)F.O.O
• 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: 7.4814 ± 0.0012 Å
• b: 7.7279 ± 0.0014 Å
• c: 12.586 ± 0.002 Å
• α: 72.762 ± 0.003°
• β: 72.803 ± 0.003°
• γ: 77.97 ± 0.003°
• Cell volume: 658.07 ± 0.19 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No