Information card for entry 7709625

Structure parameters

• Formula: C16 H20 Mo12 N24 O28
• Calculated formula: C16 H20 Mo12 N24 O28
• Title of publication: Isolated molybdenum-based microporous POMs for selective adsorption of gases
• Authors of publication: Deng, Lan; Lin, Rong-Yan; Zhou, Zhao-Hui
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.2669 ± 0.0002 Å
• b: 20.0855 ± 0.0003 Å
• c: 19.2031 ± 0.0003 Å
• α: 90°
• β: 98.753 ± 0.001°
• γ: 90°
• Cell volume: 6582.35 ± 0.16 ų
• Cell temperature: 99.8 ± 0.8 K
• Ambient diffraction temperature: 99.8 ± 0.8 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No