Information card for entry 7018280

Structure parameters

• Formula: C8 N O8 Sc
• Calculated formula: C8 N O8 Sc
• Title of publication: A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.
• Authors of publication: Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 3937 - 3941
• a: 18.279 ± 0.007 Å
• b: 7.33 ± 0.003 Å
• c: 11.601 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.4 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No