Information card for entry 2234104

Structure parameters

• Chemical name: Tetrakis(μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)]
• Formula: C28 H20 Cu2 I4 O10
• Calculated formula: C28 H20 Cu2 I4 O10
• SMILES: C1(c2c(I)cccc2)=[O][Cu]234([O]=C(c5ccccc5I)O[Cu]4(O1)([O]=C(c1c(cccc1)I)O3)([O]=C(O2)c1c(I)cccc1)[OH2])[OH2]
• Title of publication: Tetrakis(μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)]
• Authors of publication: Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m409 - m410
• a: 7.3563 ± 0.0002 Å
• b: 10.7448 ± 0.0003 Å
• c: 10.9066 ± 0.0003 Å
• α: 83.167 ± 0.003°
• β: 72.779 ± 0.002°
• γ: 77.227 ± 0.002°
• Cell volume: 801.73 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes