Information card for entry 7050783

Structure parameters

• Chemical name: bia(4-aminopyridine)bis(acetato)copper(II)
• Formula: C14 H18 Cu N4 O4
• Calculated formula: C14 H18 Cu N4 O4
• SMILES: c1(N)cc[n]([Cu]([n]2ccc(cc2)N)(OC(=O)C)OC(=O)C)cc1
• Title of publication: Copper(II) carboxylates with 4-aminopyridine: neutral mononuclear structures, isomerism of aceto compounds and a novel tetranuclear structure
• Authors of publication: Lah, Nina; Koller, Joze; Giester, Gerald; Segedin, Primoz; Leban, Ivan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 933
• a: 10.6062 ± 0.0002 Å
• b: 10.6062 ± 0.0002 Å
• c: 31.1002 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3498.51 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No