Information card for entry 7210165

Structure parameters

• Formula: C57 H45 Cd4 N6 O18 S2
• Calculated formula: C57 H45 Cd4 N6 O18 S2
• Title of publication: 3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties
• Authors of publication: Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4930
• a: 24.3069 ± 0.0017 Å
• b: 9.3535 ± 0.0006 Å
• c: 25.2396 ± 0.0018 Å
• α: 90°
• β: 101.62 ± 0.001°
• γ: 90°
• Cell volume: 5620.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No