Information card for entry 4326667

Structure parameters

• Formula: O3 Sc2
• Calculated formula: O3 Sc2
• Title of publication: Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives
• Authors of publication: John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10844 - 10858
• a: 9.8545 ± 0.0006 Å
• b: 9.8545 Å
• c: 9.8545 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 956.98 ± 0.06 ų
• Number of distinct elements: 2
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• RFsqd: 0.1462
• Goodness-of-fit parameter for all reflections: 1.22
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes