Information card for entry 4518138

Structure parameters

• Formula: C30 H13 Cl2 N4 O8 S2 Zn2
• Calculated formula: C30 H13 Cl2 N4 O8 S2 Zn2
• Title of publication: Doubly Interpenetrated Metal-Organic Framework of pcu Topology for Selective Separation of Propylene from Propane.
• Authors of publication: Liu, Ting; Cui, Hui; Zhang, Xin; Zhang, Zhi-Yin; Lin, Rui-Biao; Liang, Bin; Zhang, Jian; Li, Dan; Chen, Banglin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 48712 - 48717
• a: 10.8529 ± 0.0007 Å
• b: 10.9058 ± 0.0006 Å
• c: 19.7841 ± 0.0011 Å
• α: 91.038 ± 0.002°
• β: 97.961 ± 0.002°
• γ: 104.293 ± 0.003°
• Cell volume: 2243.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No