Information card for entry 2202389

Structure parameters

• Chemical name: Diamminehexabromodiscandium(III)
• Formula: Br6 H6 N2 Sc2
• Calculated formula: Br6 H6 N2 Sc2
• SMILES: [Sc]1(Br)([Br][Sc]([Br]1)(Br)(Br)(Br)[NH3])[NH3]
• Title of publication: Diamminehexabromodiscandium(III)
• Authors of publication: Meyer, Gerd; Cesur, Nazife; Pantenburg, Ingo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: i145 - i146
• a: 7.392 ± 0.002 Å
• b: 9.578 ± 0.002 Å
• c: 9.551 ± 0.002 Å
• α: 73.07 ± 0.02°
• β: 80.04 ± 0.02°
• γ: 77.82 ± 0.02°
• Cell volume: 627.8 ± 0.3 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: 0.095
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes