Information card for entry 7242119

Structure parameters

• Formula: C11 H11 Mn N O5
• Calculated formula: C11 H11 Mn N O5
• 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: 13.4484 ± 0.0004 Å
• b: 10.1799 ± 0.0003 Å
• c: 17.656 ± 0.0005 Å
• α: 90°
• β: 90.271 ± 0.003°
• γ: 90°
• Cell volume: 2417.14 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No