Information card for entry 4518868

Structure parameters

• Formula: C60 H15 Co2.04 N6 O16 V0.96
• Calculated formula: C60 H15 Co2.04 N6 O16 V0.96
• 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: 20.918 ± 0.01 Å
• b: 20.918 ± 0.01 Å
• c: 16.08 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6093 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1159
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No