Information card for entry 7121774

Structure parameters

• Mineral name: Fe Metal Organic Framework dosed with Ethane
• Formula: C55.76 H31.5 D19.56 Fe4 N3 O22.22
• Calculated formula: C55.7587 H31.4965 D19.5687 Fe4 N2.99867 O22.2273
• Title of publication: Gas adsorption in an isostructural series of pillared coordination cages.
• Authors of publication: Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 49
• Pages of publication: 6392 - 6395
• a: 40.251 ± 0.003 Å
• b: 40.251 ± 0.003 Å
• c: 40.251 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 65212 ± 8 ų
• Cell temperature: 12.1 ± 0.1 K
• Ambient diffraction temperature: 12.1 ± 0.1 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: 1.139
• Diffraction radiation wavelength: 0.2772 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No