Information card for entry 4518869

Structure parameters

• Formula: C54 H30 Co1.98 N6 O13 V1.02
• Calculated formula: C54 H30 Co1.98 N6 O13 V1.02
• Title of publication: Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation
• Authors of publication: Hong, Anh N.; Yang, Huajun; Li, Tong; Wang, Yong; Wang, Yanxiang; Jia, Xiaoxia; Zhou, Angel; Kusumoputro, Emily; Li, Jinping; Bu, Xianhui; Feng, Pingyun
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2021
• a: 16.799 ± 0.005 Å
• b: 16.799 ± 0.005 Å
• c: 20.706 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5061 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No