Information card for entry 7206414

Structure parameters

• Formula: C14 H14.5 Cu2 N8 O10.25
• Calculated formula: C14 H14 Cu2 N8 O10.25
• 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: 10.1419 ± 0.0014 Å
• b: 8.3005 ± 0.0011 Å
• c: 24.505 ± 0.003 Å
• α: 90°
• β: 108.03 ± 0.005°
• γ: 90°
• Cell volume: 1961.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No