Information card for entry 2202388

Structure parameters

• Chemical name: Tetraamminehexabromodiscandium(III)
• Formula: Br6 H12 N4 Sc2
• Calculated formula: Br6 H12 N4 Sc2
• SMILES: Br[Sc]1(Br)(Br)([NH3])[Br][Sc]([Br]1)(Br)([NH3])([NH3])[NH3]
• Title of publication: Tetraamminehexabromodiscandium(III)
• Authors of publication: Meyer, Gerd; Cesur, Nazife; Bremm, Stephan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: i142 - i144
• a: 7.211 ± 0.002 Å
• b: 10.157 ± 0.003 Å
• c: 11.35 ± 0.003 Å
• α: 105.39 ± 0.02°
• β: 90.76 ± 0.02°
• γ: 109.85 ± 0.02°
• Cell volume: 749 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes