Information card for entry 7013465

Structure parameters

• Common name: copper(ii)(isonicotinamide)diacetate
• Chemical name: copper(II)(isonicotinamide)diacetate
• Formula: C12 H15 Cu N3 O5
• Calculated formula: C12 H15 Cu N3 O5
• 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: 7.1996 ± 0.001 Å
• b: 8.1027 ± 0.0012 Å
• c: 13.4485 ± 0.0019 Å
• α: 90.408 ± 0.002°
• β: 96.328 ± 0.003°
• γ: 96.118 ± 0.002°
• Cell volume: 775.17 ± 0.19 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No