Information card for entry 1518059

Structure parameters

• Formula: C12 H48 Ba3 N12 Sb2 Se6
• Calculated formula: C12 Ba3 N12 Sb2 Se6
• SMILES: [Ba]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Ba]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Ba]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Sb]([Se-])([Se-])[Se-].[Sb]([Se-])([Se-])[Se-]
• Title of publication: [Ba-(en)2]3(SbSe3)2 : A salt with a molecular structure
• Authors of publication: Konig, Karl-Theodor; Eisenmann, Brigitte; Schafer, Herbert
• Journal of publication: Revue de Chimie Minerale
• Year of publication: 1984
• Journal volume: 21
• Pages of publication: 640 - 647
• a: 16.144 ± 0.007 Å
• b: 16.144 ± 0.007 Å
• c: 27.523 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6212 ± 4 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Weighted residual factors for significantly intense reflections: 0.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No