Information card for entry 2215997

Structure parameters

• Chemical name: Hexaaquacopper(II) bis(4-methylbenzenesulfonate)
• Formula: C14 H26 Cu O12 S2
• Title of publication: Hexaaquacopper(II) bis(4-methylbenzenesulfonate)
• Authors of publication: Zhong, H.; Yang, X.-M.; Xie, H.-L.; Luo, C.-J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2724 - m2725
• a: 6.9472 ± 0.0004 Å
• b: 6.2891 ± 0.0003 Å
• c: 25.1581 ± 0.0014 Å
• α: 90°
• β: 91.565 ± 0.001°
• γ: 90°
• Cell volume: 1098.79 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: Yes