Information card for entry 4512725

Structure parameters

• Formula: C36 H45 Cu5 N9 O20
• Calculated formula: C36 H45 Cu5 N9 O20
• 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: 27.313 ± 0.018 Å
• b: 22.017 ± 0.014 Å
• c: 15.836 ± 0.011 Å
• α: 90°
• β: 103.218 ± 0.01°
• γ: 90°
• Cell volume: 9271 ± 11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2728
• Weighted residual factors for all reflections included in the refinement: 0.2941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No