Information card for entry 7135069

Structure parameters

• Common name: MOXI-214
• Formula: C20 H25.69 Mn2 N8 O8.85
• Calculated formula: C20 H25.694 Mn2 N8 O8.847
• Title of publication: From Spontaneous Ligand Evolution to High-Throughput Water-Based Synthesis: Scalable Access to CO2 Selective Mixed-Ligand Metal Organic Frameworks
• Authors of publication: Howlett, Thomas; Wang, Ziqi; Tang, Wendy; Arora, Nyati; Shende, Prapti M.; Liu, Phillip; Kumari, Sneha; Joy, Monu; Wriedt, Mario; Smaldone, Ronald A.; Gassensmith, Jeremiah J.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 13.7898 ± 0.0012 Å
• b: 12.1567 ± 0.001 Å
• c: 17.2696 ± 0.0015 Å
• α: 90°
• β: 103.019 ± 0.004°
• γ: 90°
• Cell volume: 2820.6 ± 0.4 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: 0.1269
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No