Information card for entry 2236332

Structure parameters

• Common name: Triethylammoniumpentaacetatodicuprate(II)-THF-monosolvate
• Chemical name: <i>catena</i>-Poly[triethylammonium [[tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-dicuprate(II)]- μ-acetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrofuran monosolvate]
• Formula: C20 H39 Cu2 N O11
• Calculated formula: C20 H39 Cu2 N O11
• SMILES: [Cu]1234([O]=C(C)O[Cu]3([O]=C(O4)C)(OC(=[O]2)C)([O]=C(O1)C)[O]=C([O-])C)[O]=C(C)O[Cu]1234[O]=C(C)O[Cu]3([O]=C(O4)C)(OC(=[O]2)C)[O]=C(O1)C.[NH+](CC)(CC)CC.O1CCCC1.[NH+](CC)(CC)CC.O1CCCC1
• Title of publication: <i>catena</i>-Poly[triethylammonium [[tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-dicuprate(II)]-μ-acetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrofuran monosolvate]
• Authors of publication: Bugenhagen, Bernhard E. C.; Prosenc, Marc H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1142
• a: 12.152 ± 0.0002 Å
• b: 12.2726 ± 0.0002 Å
• c: 18.7306 ± 0.0003 Å
• α: 90°
• β: 112.956 ± 0.001°
• γ: 90°
• Cell volume: 2572.19 ± 0.07 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes