Information card for entry 4128582

Structure parameters

• Mineral name: Fe Metal Organic Framework
• Formula: C71.24 H45.4 D10.4 Fe4 N3.3 O23.22
• Calculated formula: C59.232 H45.0072 D10.7856 Fe4 N3.30667 O23.224
• Title of publication: Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.
• Authors of publication: Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 12128 - 12138
• a: 40.3 ± 0.004 Å
• b: 40.3 ± 0.004 Å
• c: 40.3 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 65451 ± 11 ų
• Cell temperature: 9.2 ± 0.2 K
• Ambient diffraction temperature: 9.2 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Goodness-of-fit parameter for all reflections: 1.032
• Diffraction radiation wavelength: 0.2775 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No