Information card for entry 7022165

Structure parameters

• Formula: C26 H41.5 Cu3 N16 O21.75 S2
• Calculated formula: C24 H26 Cu3 N16 O17.75 S2
• Title of publication: Structural diversity directed by switchable coordination of substitute groups in a ternary Cu(II)-triazole-sulfoisophthalate self-assembly system: synthesis, crystal structures and magnetic behavior.
• Authors of publication: Yang, En-Cui; Liu, Zhong-Yi; Zhang, Cui-Hua; Yang, You-Li; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1581 - 1590
• a: 25.056 ± 0.015 Å
• b: 17.915 ± 0.011 Å
• c: 21.16 ± 0.012 Å
• α: 90°
• β: 112.998 ± 0.009°
• γ: 90°
• Cell volume: 8743 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No