Information card for entry 4326806

Structure parameters

• Formula: C12 O6 Sc
• Calculated formula: C12 O6 Sc
• 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: 8.73461 ± 0.000015 Å
• b: 20.733114 ± 0.000025 Å
• c: 34.35274 ± 0.00004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6221.13 ± 0.015 ų
• Cell temperature: 373 K
• Ambient diffraction temperature: 373 K
• Number of distinct elements: 3
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• RFsqd: 0.10124
• Goodness-of-fit parameter for all reflections: 5.2
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.825028 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes