Information card for entry 7051094

Structure parameters

• Chemical name: bis(octanoato-O)bis(2-aminopyridine)copper(II)
• Formula: C26 H42 Cu N4 O4
• Calculated formula: C26 H42 Cu N4 O4
• SMILES: [Cu]1234(OC(=[O]1)CCCCCCC)(OC(=[O]2)CCCCCCC)([n]1c([NH2]3)cccc1)[n]1c([NH2]4)cccc1
• Title of publication: Copper(II) carboxylates with 2-aminopyridine. Synthesis, characterization and a study of the dimer‒monomer equilibrium in acetonitrile solutions by VIS-spectroscopic and microcalorimetric titrations
• Authors of publication: Lah, Nina; Giester, Gerald; Lah, Jurij; Šegedin, Primož; Leban, Ivan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 753
• a: 8.427 ± 0.002 Å
• b: 25.312 ± 0.005 Å
• c: 13.734 ± 0.003 Å
• α: 90°
• β: 105.42 ± 0.03°
• γ: 90°
• Cell volume: 2824.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No