Information card for entry 4513068

Structure parameters

• Chemical name: Poly{ammonium[bis(mu-oxalato-k2O,O':k2O'',O''')scandate(III)]}
• Formula: C4 H4 N O8 Sc
• Calculated formula: C4 H4 N O8 Sc
• Title of publication: Exploiting Synthetic Conditions to Promote Structural Diversity within the Scandium(III)/Pyrimidine-4,6-dicarboxylate System
• Authors of publication: Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Wright, Paul A.; Sneddon, Scott; Ashbrook, Sharon E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2352
• a: 8.594 ± 0.0008 Å
• b: 8.594 ± 0.0008 Å
• c: 12.4441 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 795.95 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.3226
• Weighted residual factors for all reflections included in the refinement: 0.3258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No