Information card for entry 4513434

Structure parameters

• Formula: C44 H26 Cd6 N12 O21
• Calculated formula: C44 H26 Cd6 N12 O21
• Title of publication: Microporous Metal‒Organic Framework with Lantern-like Dodecanuclear Metal Coordination Cages as Nodes for Selective Adsorption of C2/C1Mixtures and Sensing of Nitrobenzene
• Authors of publication: Chen, Yuan; Li, Ziyin; Liu, Qing; Shen, Yangcan; Wu, Xiuzhen; Xu, Dandan; Ma, Xiuling; Wang, Lihua; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3847
• a: 20.7471 ± 0.0005 Å
• b: 26.2764 ± 0.0006 Å
• c: 36.8943 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20113.3 ± 0.7 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No