Information card for entry 4330672

Structure parameters

• Formula: C2 H13 Cu2 N O11 S2
• Calculated formula: C2 H13 Cu2 N O11 S2
• Title of publication: Synthesis, Structures, And Magnetic Behavior of New Anionic Copper(II) Sulfate Aggregates and Chains
• Authors of publication: Andrew D. Burrows; Mary F. Mahon; Viorica M. Sebestyen; Yanhua Lan; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10983 - 10989
• a: 6.899 ± 0.0001 Å
• b: 17.078 ± 0.0004 Å
• c: 10.386 ± 0.0003 Å
• α: 90°
• β: 90.779 ± 0.001°
• γ: 90°
• Cell volume: 1223.58 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No