Information card for entry 7051093

Structure parameters

• Chemical name: tetrakis(octanoato O,O')bis(2-aminopyridine)dicopper(II)
• Formula: C42 H72 Cu2 N4 O8
• Calculated formula: C42 H72 Cu2 N4 O8
• SMILES: c1(cccc[n]1[Cu]1234[Cu]([n]5c(cccc5)N)([O]=C(CCCCCCC)O2)(OC(CCCCCCC)=[O]1)([O]=C(CCCCCCC)O4)OC(CCCCCCC)=[O]3)N
• 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: 8.3994 ± 0.001 Å
• b: 14.738 ± 0.002 Å
• c: 18.901 ± 0.003 Å
• α: 90°
• β: 99.35 ± 0.01°
• γ: 90°
• Cell volume: 2308.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No