Information card for entry 4100630

Structure parameters

• Common name: IRMOP-50
• Formula: C108 H84 Fe12 N12 O84 S12
• Calculated formula: C108 H84 Fe12 N12 O88 S12
• Title of publication: Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra
• Authors of publication: Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 32.6504 ± 0.0013 Å
• b: 32.6504 ± 0.0013 Å
• c: 32.6504 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34807 ± 2 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 6
• Space group number: 216
• Hermann-Mauguin space group symbol: F -4 3 m
• Hall space group symbol: F -4 2 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No