Information card for entry 7206413

Structure parameters

• Formula: C14 H16 Cu N8 O10
• Calculated formula: C14 H16 Cu N8 O10
• Title of publication: Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior
• Authors of publication: Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5401
• a: 7.067 ± 0.004 Å
• b: 7.563 ± 0.004 Å
• c: 9.867 ± 0.005 Å
• α: 69.266 ± 0.007°
• β: 88.868 ± 0.008°
• γ: 75.042 ± 0.007°
• Cell volume: 475 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No