Information card for entry 4506897

Structure parameters

• Formula: C12 H11 Cu4 N9 O17
• Calculated formula: C12 Cu4 N9 O17
• Title of publication: Assembly of Two 3D Porous Metal‒Organic Frameworks Based on 1,2,3-Triazole-4,5-dicarboxylate Exhibiting Novel Coordination Modes
• Authors of publication: Zhao, Tingting; Jing, Xuemin; Wang, Jing; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5456
• a: 22.5557 ± 0.0003 Å
• b: 22.5557 ± 0.0003 Å
• c: 22.5557 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11475.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No