Information card for entry 4134603

Structure parameters

• Formula: C119.85 H139.65 Fe8 N31.95 O61.95
• Calculated formula: C119.85 H139.65 Fe8 N31.95 O61.95
• Title of publication: An Exceptionally Stable Metal-Organic Framework Constructed from Chelate-based Metal-Organic Polyhedra.
• Authors of publication: Chiong, Jerika A.; Zhu, Jie; Bailey, Jake B.; Kalaj, Mark; Subramanian, Rohit; Xu, Wenqian; Cohen, Seth M.; Tezcan, F. Akif
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 27.604 ± 0.004 Å
• b: 27.604 ± 0.004 Å
• c: 27.604 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21034 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No