Information card for entry 7022163

Structure parameters

• Formula: C10 H12 Cu2 N4 O10 S
• Calculated formula: C10 H12 Cu2 N4 O10 S
• 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: 7.5539 ± 0.0003 Å
• b: 8.5875 ± 0.0003 Å
• c: 24.4454 ± 0.001 Å
• α: 90°
• β: 105.866 ± 0.001°
• γ: 90°
• Cell volume: 1525.34 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No