Information card for entry 2211338

Structure parameters

• Chemical name: Tetrakis[μ-2-(1,3-dithian-2-ylidene)-3-oxobutanoato- κ^2^O:O']bis[aquacopper(II)]
• Formula: C32 H40 Cu2 O14 S8
• Calculated formula: C32 H40 Cu2 O14 S8
• Title of publication: Tetrakis[μ-2-(1,3-dithian-2-ylidene)-3-oxobutanoato-κ^2^<i>O</i>:<i>O</i>']bis[aquacopper(II)]
• Authors of publication: Zhan-Lin Xu; Guang-Bo Che; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3295 - m3297
• a: 19.573 ± 0.005 Å
• b: 12.05 ± 0.002 Å
• c: 18.269 ± 0.004 Å
• α: 90°
• β: 105.23 ± 0.01°
• γ: 90°
• Cell volume: 4157.5 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes