Information card for entry 4128586

Structure parameters

• Mineral name: Fe-Me-dabco MOF w/ CD4
• Formula: C36.89 H22.5 D10.52 Fe2 N1.65 O11.61
• Calculated formula: C36.89 H22.5036 D10.5155 Fe2 N1.65333 O11.612
• 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: 40.233 ± 0.006 Å
• b: 40.233 ± 0.006 Å
• c: 40.233 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 65125 ± 17 ų
• Cell temperature: 6.46 ± 0.05 K
• Ambient diffraction temperature: 6.46 ± 0.05 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: 1.053
• Diffraction radiation wavelength: 0.2775 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No