Information card for entry 7242118

Structure parameters

• Formula: C36 H46 Mn3 N10 O16
• Calculated formula: C36 H46 Mn3 N10 O16
• Title of publication: Efficient electrochemical synthesis of a manganese-based metal‒organic framework for H2 and CO2 uptake
• Authors of publication: Asghar, Aisha; Iqbal, Naseem; Noor, Tayyaba; Kariuki, Benson M.; Kidwell, Luke; Easun, Timothy L.
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 1220 - 1227
• a: 13.2958 ± 0.0007 Å
• b: 10.0194 ± 0.0007 Å
• c: 16.6456 ± 0.0007 Å
• α: 90°
• β: 106.404 ± 0.005°
• γ: 90°
• Cell volume: 2127.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1136
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No