Information card for entry 2227627

Structure parameters

• Chemical name: Poly[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(μ~3~- acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>)(μ~2~-acetato- κ^2^<i>O</i>:<i>O</i>')(μ~2~-acetic acid-κ^2^<i>O</i>:<i>O</i>')di-μ-aquacopper(II)trisodium]
• Formula: C12 H23 Cu Na3 O14
• Calculated formula: C12 H23 Cu Na3 O14
• SMILES: CC(=O)O[Cu](OC(C)=O)(OC(=O)C)OC(=O)C.CC([O-])=O.O=C(C)O.O.O.[Na+].[Na+].[Na+]
• Title of publication: Poly[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>)(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-acetic acid-κ^2^<i>O</i>:<i>O</i>')di-μ-aquacopper(II)trisodium]
• Authors of publication: Jiang, Xiang-Yu; Yue, Xi-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1244
• a: 14.571 ± 0.006 Å
• b: 6.768 ± 0.003 Å
• c: 22.653 ± 0.01 Å
• α: 90°
• β: 103.426 ± 0.019°
• γ: 90°
• Cell volume: 2172.9 ± 1.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes