Information card for entry 4512726

Structure parameters

• Formula: C39 H61 Cu4.5 N11 O21
• Calculated formula: C39 H47 Cu4.5 N11 O21
• Title of publication: End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties
• Authors of publication: Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1526
• a: 22.741 ± 0.002 Å
• b: 22.741 ± 0.002 Å
• c: 30.38 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13606 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2798
• Weighted residual factors for all reflections included in the refinement: 0.3073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No