Information card for entry 2016615

Structure parameters

• Chemical name: tetrakis(biuret-κ^2^O,O')scandium(III) trinitrate
• Formula: C8 H20 N15 O17 Sc
• Calculated formula: C8 H20 N15 O17 Sc
• Title of publication: Two scandium‒biuret complexes: [Sc(C~2~H~5~N~3~O~2~)(H~2~O)~5~]Cl~3~·H~2~O and [Sc(C~2~H~5~N~3~O~2~)~4~](NO~3~)~3~
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m205 - m208
• a: 19.2409 ± 0.0013 Å
• b: 7.0167 ± 0.0004 Å
• c: 17.4653 ± 0.0013 Å
• α: 90°
• β: 107.344 ± 0.004°
• γ: 90°
• Cell volume: 2250.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes