Information card for entry 4326813

Structure parameters

• Formula: C12 N1.5 O9 Sc
• Calculated formula: C12 N1.5 O9 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: 8.66399 ± 0.00007 Å
• b: 34.42204 ± 0.00013 Å
• c: 11.42526 ± 0.00006 Å
• α: 90°
• β: 114.932 ± 0.0005°
• γ: 90°
• Cell volume: 3089.84 ± 0.03 ų
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• RFsqd: 0.09428
• Goodness-of-fit parameter for all reflections: 6.09
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.825 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes